REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3n96_1_B DATA FIRST_RESID -369 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTNAAA EFAALLHSLL EANcSLALAE ELLLDGWGPP DATA SEQUENCE LDPEGPYSYc NTTLDQIGTc WPRSAAGALV ERPcPEYFNG VKYNTTRNAY DATA SEQUENCE REcLENGTWA SKINYSQcEP I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -369 K HA 0.000 nan 4.320 nan 0.000 0.191 -369 K C 0.000 176.582 176.600 -0.031 0.000 0.988 -369 K CA 0.000 56.269 56.287 -0.030 0.000 0.838 -369 K CB 0.000 32.483 32.500 -0.027 0.000 1.064 -368 I N 1.761 122.305 120.570 -0.043 0.000 2.872 -368 I HA -0.027 4.143 4.170 0.000 0.000 0.291 -368 I C 0.465 176.564 176.117 -0.030 0.000 1.216 -368 I CA 0.406 61.679 61.300 -0.045 0.000 1.424 -368 I CB 0.304 38.266 38.000 -0.064 0.000 1.351 -368 I HN 0.356 nan 8.210 nan 0.000 0.592 -367 E N 5.109 125.295 120.200 -0.024 0.000 2.289 -367 E HA 0.091 4.441 4.350 0.000 0.000 0.278 -367 E C -0.294 176.297 176.600 -0.015 0.000 1.032 -367 E CA -0.412 55.978 56.400 -0.016 0.000 0.854 -367 E CB 0.819 30.514 29.700 -0.010 0.000 1.046 -367 E HN 0.480 nan 8.360 nan 0.000 0.409 -366 E N 0.760 120.953 120.200 -0.010 0.000 2.290 -366 E HA 0.176 4.526 4.350 0.000 0.000 0.277 -366 E C 0.487 177.087 176.600 -0.000 0.000 1.035 -366 E CA 0.352 56.749 56.400 -0.005 0.000 0.873 -366 E CB 0.365 30.063 29.700 -0.004 0.000 1.029 -366 E HN 0.784 nan 8.360 nan 0.000 0.419 -365 G N 3.981 112.785 108.800 0.007 0.000 2.159 -365 G HA2 -0.245 3.715 3.960 0.000 0.000 0.227 -365 G HA3 -0.245 3.715 3.960 0.000 0.000 0.227 -365 G C -0.093 174.818 174.900 0.019 0.000 0.986 -365 G CA 0.516 45.625 45.100 0.015 0.000 0.651 -365 G HN 0.601 nan 8.290 nan 0.000 0.523 -364 K N -0.813 119.593 120.400 0.009 0.000 2.439 -364 K HA 0.892 5.212 4.320 0.000 0.000 0.260 -364 K C -1.014 175.570 176.600 -0.027 0.000 1.032 -364 K CA -1.324 54.966 56.287 0.005 0.000 0.882 -364 K CB 1.720 34.219 32.500 -0.001 0.000 1.420 -364 K HN 0.186 nan 8.250 nan 0.000 0.455 -363 L N 1.641 122.825 121.223 -0.065 0.000 2.381 -363 L HA 0.461 4.801 4.340 0.000 0.000 0.274 -363 L C -1.036 175.759 176.870 -0.125 0.000 0.988 -363 L CA -1.272 53.483 54.840 -0.142 0.000 0.824 -363 L CB 2.155 44.032 42.059 -0.303 0.000 1.263 -363 L HN 0.398 nan 8.230 nan 0.000 0.410 -362 V N 4.586 124.439 119.914 -0.101 0.000 2.483 -362 V HA 0.519 4.639 4.120 0.000 0.000 0.295 -362 V C -0.022 176.039 176.094 -0.054 0.000 1.035 -362 V CA -0.365 61.910 62.300 -0.043 0.000 0.896 -362 V CB 2.138 33.957 31.823 -0.007 0.000 0.986 -362 V HN 0.502 nan 8.190 nan 0.000 0.447 -361 I N 3.167 123.779 120.570 0.069 0.000 2.499 -361 I HA 0.384 4.554 4.170 0.000 0.000 0.288 -361 I C -1.370 174.995 176.117 0.413 0.000 1.048 -361 I CA -0.410 60.978 61.300 0.147 0.000 1.062 -361 I CB 2.208 40.286 38.000 0.130 0.000 1.238 -361 I HN 0.534 nan 8.210 nan 0.000 0.426 -360 W N 7.429 128.790 121.300 0.102 0.000 2.314 -360 W HA 0.628 5.288 4.660 0.000 0.000 0.310 -360 W C -0.267 176.380 176.519 0.215 0.000 1.075 -360 W CA -0.914 56.492 57.345 0.101 0.000 1.253 -360 W CB 0.974 30.461 29.460 0.045 0.000 1.238 -360 W HN 0.230 nan 8.180 nan 0.000 0.440 -359 I N 3.176 123.951 120.570 0.342 0.000 2.828 -359 I HA 0.323 4.494 4.170 0.000 0.000 0.302 -359 I C -0.133 176.078 176.117 0.157 0.000 1.101 -359 I CA -1.028 60.422 61.300 0.249 0.000 1.031 -359 I CB 1.810 39.824 38.000 0.023 0.000 1.231 -359 I HN 0.166 nan 8.210 nan 0.000 0.427 -358 N N 3.060 121.830 118.700 0.117 0.000 2.518 -358 N HA 0.177 4.917 4.740 0.000 0.000 0.266 -358 N C 0.989 176.471 175.510 -0.047 0.000 1.196 -358 N CA 0.882 53.953 53.050 0.034 0.000 0.947 -358 N CB 1.646 40.050 38.487 -0.138 0.000 1.098 -358 N HN 0.741 nan 8.380 nan 0.000 0.450 -357 G N 1.650 110.414 108.800 -0.061 0.000 2.462 -357 G HA2 -0.279 3.681 3.960 0.000 0.000 0.220 -357 G HA3 -0.279 3.681 3.960 0.000 0.000 0.220 -357 G C 0.858 175.757 174.900 -0.001 0.000 1.121 -357 G CA 1.110 46.151 45.100 -0.099 0.000 0.758 -357 G HN 0.824 nan 8.290 nan 0.000 0.559 -356 D N 0.096 120.410 120.400 -0.142 0.000 2.317 -356 D HA 0.005 4.645 4.640 0.000 0.000 0.211 -356 D C 1.217 177.441 176.300 -0.127 0.000 0.966 -356 D CA 0.430 54.329 54.000 -0.168 0.000 0.876 -356 D CB 0.031 40.563 40.800 -0.448 0.000 0.927 -356 D HN 0.095 nan 8.370 nan 0.000 0.519 -355 K N 0.418 120.728 120.400 -0.150 0.000 2.386 -355 K HA 0.407 4.727 4.320 0.000 0.000 0.249 -355 K C 1.083 177.643 176.600 -0.067 0.000 1.055 -355 K CA -0.183 56.042 56.287 -0.103 0.000 0.930 -355 K CB -0.002 32.406 32.500 -0.153 0.000 1.230 -355 K HN 0.092 nan 8.250 nan 0.000 0.507 -354 G N 1.594 110.342 108.800 -0.088 0.000 3.636 -354 G HA2 0.147 4.107 3.960 0.000 0.000 0.260 -354 G HA3 0.147 4.107 3.960 0.000 0.000 0.260 -354 G C 0.657 175.466 174.900 -0.152 0.000 1.014 -354 G CA -0.255 44.759 45.100 -0.143 0.000 1.797 -354 G HN 0.563 nan 8.290 nan 0.000 0.637 -353 Y N -1.214 119.021 120.300 -0.108 0.000 2.509 -353 Y HA 0.080 4.630 4.550 0.000 0.000 0.293 -353 Y C 1.835 177.715 175.900 -0.034 0.000 1.133 -353 Y CA 0.588 58.634 58.100 -0.090 0.000 1.283 -353 Y CB -0.370 38.033 38.460 -0.095 0.000 1.001 -353 Y HN 0.367 nan 8.280 nan 0.000 0.555 -352 N N 0.420 118.977 118.700 -0.238 0.000 2.333 -352 N HA 0.018 4.758 4.740 0.000 0.000 0.178 -352 N C 2.140 177.632 175.510 -0.030 0.000 1.018 -352 N CA 0.519 53.517 53.050 -0.087 0.000 0.882 -352 N CB -0.237 38.140 38.487 -0.185 0.000 0.984 -352 N HN 0.521 nan 8.380 nan 0.000 0.434 -351 G N 1.593 110.357 108.800 -0.060 0.000 2.421 -351 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 -351 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 -351 G C 1.456 176.370 174.900 0.023 0.000 1.171 -351 G CA 0.409 45.500 45.100 -0.015 0.000 0.775 -351 G HN 0.156 nan 8.290 nan 0.000 0.543 -350 L N 1.389 122.623 121.223 0.017 0.000 2.042 -350 L HA 0.062 4.402 4.340 0.000 0.000 0.210 -350 L C 3.014 179.966 176.870 0.136 0.000 1.076 -350 L CA 2.328 57.205 54.840 0.060 0.000 0.749 -350 L CB -0.556 41.493 42.059 -0.016 0.000 0.893 -350 L HN 0.228 nan 8.230 nan 0.000 0.432 -349 A N -1.239 121.653 122.820 0.121 0.000 2.015 -349 A HA -0.145 4.176 4.320 0.000 0.000 0.219 -349 A C 2.158 179.817 177.584 0.126 0.000 1.163 -349 A CA 1.420 53.535 52.037 0.130 0.000 0.646 -349 A CB -0.511 18.568 19.000 0.132 0.000 0.806 -349 A HN 0.543 nan 8.150 nan 0.000 0.448 -348 E N -0.050 120.212 120.200 0.104 0.000 2.106 -348 E HA -0.102 4.248 4.350 0.000 0.000 0.192 -348 E C 2.124 178.803 176.600 0.132 0.000 0.984 -348 E CA 1.316 57.775 56.400 0.098 0.000 0.806 -348 E CB -0.333 29.406 29.700 0.066 0.000 0.750 -348 E HN 0.433 nan 8.360 nan 0.000 0.458 -347 V N 0.539 120.542 119.914 0.150 0.000 2.515 -347 V HA -0.147 3.973 4.120 0.000 0.000 0.250 -347 V C 2.349 178.635 176.094 0.320 0.000 1.058 -347 V CA 1.765 64.178 62.300 0.187 0.000 1.064 -347 V CB -0.870 31.022 31.823 0.115 0.000 0.675 -347 V HN 0.277 nan 8.190 nan 0.000 0.461 -346 G N -0.431 108.576 108.800 0.345 0.000 2.421 -346 G HA2 -0.207 3.754 3.960 0.000 0.000 0.217 -346 G HA3 -0.207 3.754 3.960 0.000 0.000 0.217 -346 G C 1.623 176.669 174.900 0.245 0.000 1.143 -346 G CA 0.595 45.902 45.100 0.344 0.000 0.784 -346 G HN 0.421 nan 8.290 nan 0.000 0.541 -345 K N 0.492 121.000 120.400 0.181 0.000 2.155 -345 K HA 0.100 4.420 4.320 0.000 0.000 0.203 -345 K C 2.298 178.981 176.600 0.137 0.000 1.052 -345 K CA 0.864 57.230 56.287 0.132 0.000 0.948 -345 K CB -0.096 32.464 32.500 0.101 0.000 0.728 -345 K HN 0.257 nan 8.250 nan 0.000 0.448 -344 K N -0.715 119.791 120.400 0.177 0.000 2.057 -344 K HA -0.129 4.191 4.320 0.000 0.000 0.206 -344 K C 1.938 178.644 176.600 0.177 0.000 1.050 -344 K CA 1.239 57.645 56.287 0.198 0.000 0.935 -344 K CB -0.200 32.457 32.500 0.262 0.000 0.715 -344 K HN 0.119 nan 8.250 nan 0.000 0.439 -343 F N 2.164 122.066 119.950 -0.080 0.000 2.171 -343 F HA -0.150 4.377 4.527 0.000 0.000 0.300 -343 F C 2.189 177.891 175.800 -0.164 0.000 1.090 -343 F CA 1.623 59.369 58.000 -0.424 0.000 1.293 -343 F CB -0.026 38.781 39.000 -0.322 0.000 1.013 -343 F HN 0.156 nan 8.300 nan 0.000 0.486 -342 E N 0.191 120.406 120.200 0.025 0.000 2.028 -342 E HA -0.257 4.094 4.350 0.000 0.000 0.191 -342 E C 2.192 178.747 176.600 -0.077 0.000 0.988 -342 E CA 1.198 57.576 56.400 -0.036 0.000 0.799 -342 E CB -0.071 29.659 29.700 0.050 0.000 0.755 -342 E HN 0.252 nan 8.360 nan 0.000 0.447 -341 K N 0.581 120.971 120.400 -0.016 0.000 2.089 -341 K HA -0.204 4.116 4.320 0.000 0.000 0.210 -341 K C 1.673 178.252 176.600 -0.034 0.000 1.048 -341 K CA 2.153 58.438 56.287 -0.003 0.000 0.926 -341 K CB 0.000 32.524 32.500 0.038 0.000 0.714 -341 K HN 0.159 nan 8.250 nan 0.000 0.448 -340 D N -1.778 118.584 120.400 -0.065 0.000 2.183 -340 D HA -0.062 4.578 4.640 0.000 0.000 0.205 -340 D C 1.815 178.027 176.300 -0.147 0.000 0.962 -340 D CA 1.750 55.713 54.000 -0.061 0.000 0.849 -340 D CB -0.032 40.794 40.800 0.043 0.000 0.978 -340 D HN 0.430 nan 8.370 nan 0.000 0.488 -339 T N -4.337 110.035 114.554 -0.303 0.000 2.969 -339 T HA 0.371 4.721 4.350 0.000 0.000 0.250 -339 T C 1.670 176.241 174.700 -0.215 0.000 1.021 -339 T CA 0.701 62.599 62.100 -0.337 0.000 1.003 -339 T CB 0.932 69.370 68.868 -0.718 0.000 1.040 -339 T HN 0.168 nan 8.240 nan 0.000 0.492 -338 G N 1.676 110.367 108.800 -0.181 0.000 2.141 -338 G HA2 -0.138 3.823 3.960 0.000 0.000 0.231 -338 G HA3 -0.138 3.823 3.960 0.000 0.000 0.231 -338 G C -0.093 174.769 174.900 -0.063 0.000 0.984 -338 G CA -0.036 45.010 45.100 -0.091 0.000 0.660 -338 G HN 0.548 nan 8.290 nan 0.000 0.525 -337 I N 1.436 121.956 120.570 -0.084 0.000 2.306 -337 I HA 0.266 4.436 4.170 0.000 0.000 0.288 -337 I C 0.922 177.089 176.117 0.084 0.000 1.036 -337 I CA -1.152 60.161 61.300 0.021 0.000 1.221 -337 I CB 1.130 39.193 38.000 0.105 0.000 1.385 -337 I HN 0.136 nan 8.210 nan 0.000 0.472 -336 K N 5.318 125.747 120.400 0.048 0.000 2.473 -336 K HA 0.098 4.418 4.320 0.000 0.000 0.277 -336 K C -0.840 175.782 176.600 0.036 0.000 1.052 -336 K CA 0.237 56.549 56.287 0.043 0.000 1.114 -336 K CB 0.494 33.008 32.500 0.023 0.000 0.869 -336 K HN 0.366 nan 8.250 nan 0.000 0.481 -335 V N 4.980 124.911 119.914 0.028 0.000 2.326 -335 V HA 0.137 4.258 4.120 0.000 0.000 0.281 -335 V C -0.365 175.710 176.094 -0.033 0.000 1.015 -335 V CA -0.700 61.564 62.300 -0.059 0.000 0.823 -335 V CB 1.621 33.379 31.823 -0.109 0.000 1.009 -335 V HN 0.788 nan 8.190 nan 0.000 0.436 -334 T N 4.765 119.301 114.554 -0.030 0.000 2.767 -334 T HA 0.502 4.853 4.350 0.000 0.000 0.284 -334 T C -0.118 174.605 174.700 0.038 0.000 0.973 -334 T CA -0.332 61.777 62.100 0.015 0.000 0.996 -334 T CB 1.521 70.406 68.868 0.028 0.000 0.927 -334 T HN 0.305 nan 8.240 nan 0.000 0.456 -333 V N 4.356 124.310 119.914 0.067 0.000 2.370 -333 V HA 0.415 4.535 4.120 0.000 0.000 0.279 -333 V C 0.210 176.355 176.094 0.084 0.000 1.029 -333 V CA -0.600 61.764 62.300 0.107 0.000 0.870 -333 V CB 1.117 33.022 31.823 0.135 0.000 0.984 -333 V HN 0.851 nan 8.190 nan 0.000 0.451 -332 E N 2.537 122.784 120.200 0.080 0.000 2.336 -332 E HA 0.602 4.953 4.350 0.000 0.000 0.267 -332 E C -1.213 175.277 176.600 -0.183 0.000 0.906 -332 E CA -0.847 55.478 56.400 -0.125 0.000 0.781 -332 E CB 2.190 31.803 29.700 -0.144 0.000 1.261 -332 E HN 0.987 nan 8.360 nan 0.000 0.436 -331 H N -0.968 117.880 119.070 -0.368 0.000 2.380 -331 H HA 0.373 4.929 4.556 0.000 0.000 0.231 -331 H C -2.715 172.391 175.328 -0.370 0.000 1.415 -331 H CA -2.237 53.588 56.048 -0.372 0.000 1.433 -331 H CB -0.447 29.023 29.762 -0.486 0.000 1.544 -331 H HN 0.130 nan 8.280 nan 0.000 0.503 -330 P HA 0.038 nan 4.420 nan 0.000 0.269 -330 P C 0.079 177.208 177.300 -0.284 0.000 1.215 -330 P CA -0.134 62.665 63.100 -0.501 0.000 0.780 -330 P CB 0.955 32.152 31.700 -0.838 0.000 0.898 -329 D N 1.504 121.784 120.400 -0.200 0.000 2.341 -329 D HA 0.060 4.700 4.640 0.000 0.000 0.245 -329 D C 0.252 176.490 176.300 -0.103 0.000 1.106 -329 D CA -0.008 53.929 54.000 -0.105 0.000 0.905 -329 D CB 0.390 41.150 40.800 -0.066 0.000 1.202 -329 D HN 0.326 nan 8.370 nan 0.000 0.426 -328 K N 0.817 121.186 120.400 -0.052 0.000 3.244 -328 K HA -0.222 4.098 4.320 0.000 0.000 0.270 -328 K C 0.975 177.511 176.600 -0.106 0.000 1.016 -328 K CA -0.245 56.006 56.287 -0.060 0.000 0.754 -328 K CB -0.807 31.670 32.500 -0.038 0.000 1.326 -328 K HN 0.293 nan 8.250 nan 0.000 0.465 -327 L N 1.840 122.996 121.223 -0.112 0.000 2.012 -327 L HA -0.189 4.151 4.340 0.000 0.000 0.210 -327 L C 2.380 179.180 176.870 -0.117 0.000 1.073 -327 L CA 2.445 57.232 54.840 -0.090 0.000 0.748 -327 L CB -0.247 41.843 42.059 0.051 0.000 0.891 -327 L HN 0.471 nan 8.230 nan 0.000 0.431 -326 E N -0.620 119.301 120.200 -0.465 0.000 2.482 -326 E HA -0.182 4.168 4.350 0.000 0.000 0.196 -326 E C 1.431 177.927 176.600 -0.173 0.000 1.047 -326 E CA 1.116 57.186 56.400 -0.550 0.000 0.869 -326 E CB -0.231 28.656 29.700 -1.355 0.000 0.836 -326 E HN 0.750 nan 8.360 nan 0.000 0.520 -325 E N 0.508 120.635 120.200 -0.121 0.000 2.340 -325 E HA 0.070 4.420 4.350 0.000 0.000 0.198 -325 E C 1.806 178.399 176.600 -0.011 0.000 0.961 -325 E CA 0.075 56.451 56.400 -0.040 0.000 0.905 -325 E CB 0.260 29.938 29.700 -0.037 0.000 0.884 -325 E HN 0.065 nan 8.360 nan 0.000 0.491 -324 K N 0.611 121.020 120.400 0.015 0.000 2.155 -324 K HA -0.107 4.213 4.320 0.000 0.000 0.203 -324 K C 1.808 178.514 176.600 0.176 0.000 1.052 -324 K CA 0.734 57.068 56.287 0.078 0.000 0.948 -324 K CB -0.048 32.475 32.500 0.037 0.000 0.728 -324 K HN 0.020 nan 8.250 nan 0.000 0.448 -323 F N 2.344 122.331 119.950 0.062 0.000 2.102 -323 F HA -0.066 4.461 4.527 0.000 0.000 0.298 -323 F C -1.321 174.312 175.800 -0.278 0.000 1.105 -323 F CA 0.769 58.708 58.000 -0.102 0.000 1.239 -323 F CB -0.745 38.072 39.000 -0.304 0.000 0.991 -323 F HN 0.057 nan 8.300 nan 0.000 0.474 -322 P HA -0.114 nan 4.420 nan 0.000 0.222 -322 P C 1.295 178.401 177.300 -0.323 0.000 1.153 -322 P CA 1.434 64.215 63.100 -0.533 0.000 0.798 -322 P CB -0.175 31.406 31.700 -0.198 0.000 0.796 -321 Q N 0.049 119.735 119.800 -0.190 0.000 2.045 -321 Q HA -0.140 4.201 4.340 0.000 0.000 0.206 -321 Q C 2.193 178.106 176.000 -0.144 0.000 0.991 -321 Q CA 2.425 58.157 55.803 -0.118 0.000 0.851 -321 Q CB -0.838 27.869 28.738 -0.051 0.000 0.911 -321 Q HN 0.236 nan 8.270 nan 0.000 0.418 -320 V N -2.913 116.904 119.914 -0.161 0.000 2.649 -320 V HA 0.095 4.215 4.120 0.000 0.000 0.248 -320 V C 2.012 177.950 176.094 -0.260 0.000 1.054 -320 V CA 1.253 63.470 62.300 -0.138 0.000 1.073 -320 V CB -0.824 30.993 31.823 -0.010 0.000 0.699 -320 V HN 0.283 nan 8.190 nan 0.000 0.463 -319 A N 1.087 123.606 122.820 -0.502 0.000 1.898 -319 A HA 0.095 4.415 4.320 0.000 0.000 0.216 -319 A C 2.542 179.909 177.584 -0.361 0.000 1.181 -319 A CA 2.221 53.908 52.037 -0.582 0.000 0.620 -319 A CB -1.207 17.089 19.000 -1.173 0.000 0.819 -319 A HN 1.036 nan 8.150 nan 0.000 0.442 -318 A N -0.278 122.345 122.820 -0.328 0.000 2.009 -318 A HA -0.200 4.120 4.320 0.000 0.000 0.222 -318 A C 2.234 179.740 177.584 -0.131 0.000 1.175 -318 A CA 2.599 54.520 52.037 -0.193 0.000 0.651 -318 A CB -1.291 17.620 19.000 -0.148 0.000 0.815 -318 A HN 0.956 nan 8.150 nan 0.000 0.459 -317 T N -4.788 109.691 114.554 -0.125 0.000 3.122 -317 T HA 0.431 4.781 4.350 0.000 0.000 0.250 -317 T C 1.146 175.801 174.700 -0.074 0.000 1.067 -317 T CA 0.980 63.035 62.100 -0.076 0.000 0.966 -317 T CB -0.065 68.775 68.868 -0.047 0.000 1.002 -317 T HN 1.849 nan 8.240 nan 0.000 0.542 -316 G N 0.516 109.255 108.800 -0.103 0.000 2.132 -316 G HA2 -0.168 3.792 3.960 0.000 0.000 0.228 -316 G HA3 -0.168 3.792 3.960 0.000 0.000 0.228 -316 G C -0.360 174.486 174.900 -0.089 0.000 1.000 -316 G CA 0.067 45.115 45.100 -0.087 0.000 0.693 -316 G HN 0.758 nan 8.290 nan 0.000 0.515 -315 D N -1.511 118.819 120.400 -0.118 0.000 2.585 -315 D HA 0.773 5.413 4.640 0.000 0.000 0.254 -315 D C 0.815 177.010 176.300 -0.175 0.000 1.067 -315 D CA 1.253 55.189 54.000 -0.106 0.000 1.090 -315 D CB 1.327 42.091 40.800 -0.061 0.000 1.408 -315 D HN 1.401 nan 8.370 nan 0.000 0.554 -314 G N -0.076 108.624 108.800 -0.167 0.000 2.500 -314 G HA2 -0.032 3.928 3.960 0.000 0.000 0.209 -314 G HA3 -0.032 3.928 3.960 0.000 0.000 0.209 -314 G C -2.604 172.018 174.900 -0.464 0.000 1.283 -314 G CA -0.447 44.438 45.100 -0.358 0.000 0.960 -314 G HN 0.551 nan 8.290 nan 0.000 0.528 -313 P HA 0.307 nan 4.420 nan 0.000 0.276 -313 P C 0.019 177.105 177.300 -0.356 0.000 1.244 -313 P CA -0.078 62.584 63.100 -0.729 0.000 0.801 -313 P CB 0.953 31.927 31.700 -1.210 0.000 1.006 -312 D N 0.554 120.809 120.400 -0.242 0.000 2.103 -312 D HA 0.031 4.671 4.640 0.000 0.000 0.199 -312 D C 0.676 176.880 176.300 -0.160 0.000 0.978 -312 D CA 1.443 55.347 54.000 -0.160 0.000 0.829 -312 D CB 0.303 41.021 40.800 -0.136 0.000 0.981 -312 D HN 0.364 nan 8.370 nan 0.000 0.464 -311 I N 1.155 121.616 120.570 -0.181 0.000 2.498 -311 I HA 0.337 4.507 4.170 0.000 0.000 0.290 -311 I C -0.548 175.456 176.117 -0.189 0.000 1.032 -311 I CA -0.672 60.530 61.300 -0.165 0.000 1.073 -311 I CB 3.174 41.114 38.000 -0.100 0.000 1.251 -311 I HN -0.151 nan 8.210 nan 0.000 0.426 -310 I N 5.419 125.812 120.570 -0.296 0.000 2.474 -310 I HA 0.487 4.657 4.170 0.000 0.000 0.294 -310 I C -1.558 174.501 176.117 -0.096 0.000 1.005 -310 I CA -0.557 60.589 61.300 -0.257 0.000 1.113 -310 I CB 1.844 39.349 38.000 -0.825 0.000 1.289 -310 I HN 0.391 nan 8.210 nan 0.000 0.436 -309 F N 7.641 127.703 119.950 0.187 0.000 2.444 -309 F HA 0.549 5.076 4.527 0.000 0.000 0.342 -309 F C -0.438 175.630 175.800 0.447 0.000 1.121 -309 F CA -0.072 58.105 58.000 0.295 0.000 0.997 -309 F CB 1.374 40.491 39.000 0.195 0.000 1.130 -309 F HN 0.448 nan 8.300 nan 0.000 0.454 -308 W N 1.931 123.480 121.300 0.415 0.000 2.986 -308 W HA 0.574 5.235 4.660 0.000 0.000 0.345 -308 W C -1.495 175.201 176.519 0.296 0.000 1.191 -308 W CA -1.226 56.300 57.345 0.302 0.000 1.170 -308 W CB 1.253 30.875 29.460 0.271 0.000 1.438 -308 W HN 0.620 nan 8.180 nan 0.000 0.567 -307 A N 2.460 125.212 122.820 -0.113 0.000 2.445 -307 A HA 0.081 4.401 4.320 0.000 0.000 0.242 -307 A C 1.340 179.097 177.584 0.287 0.000 1.075 -307 A CA 0.819 52.856 52.037 0.000 0.000 0.777 -307 A CB -0.121 18.741 19.000 -0.231 0.000 1.013 -307 A HN 0.764 nan 8.150 nan 0.000 0.493 -306 H N 1.611 120.733 119.070 0.088 0.000 2.518 -306 H HA -0.148 4.408 4.556 0.000 0.000 0.289 -306 H C 0.915 176.370 175.328 0.212 0.000 1.051 -306 H CA 1.375 57.423 56.048 0.001 0.000 1.280 -306 H CB -0.316 29.381 29.762 -0.108 0.000 1.380 -306 H HN 0.820 nan 8.280 nan 0.000 0.566 -305 D N 1.513 121.701 120.400 -0.353 0.000 2.309 -305 D HA -0.172 4.468 4.640 0.000 0.000 0.212 -305 D C 1.611 177.898 176.300 -0.021 0.000 0.968 -305 D CA 0.480 54.369 54.000 -0.185 0.000 0.882 -305 D CB -0.310 40.407 40.800 -0.139 0.000 0.918 -305 D HN 0.384 nan 8.370 nan 0.000 0.503 -304 R N -1.109 119.395 120.500 0.008 0.000 2.334 -304 R HA 0.140 4.480 4.340 0.000 0.000 0.212 -304 R C 1.537 177.318 176.300 -0.866 0.000 0.897 -304 R CA -0.218 55.621 56.100 -0.435 0.000 1.056 -304 R CB -0.195 29.731 30.300 -0.624 0.000 1.046 -304 R HN 0.181 nan 8.270 nan 0.000 0.513 -303 F N 0.918 120.601 119.950 -0.445 0.000 2.206 -303 F HA 0.026 4.553 4.527 0.000 0.000 0.298 -303 F C 2.555 178.168 175.800 -0.313 0.000 1.090 -303 F CA 1.304 59.149 58.000 -0.258 0.000 1.323 -303 F CB -0.875 38.124 39.000 -0.001 0.000 1.028 -303 F HN 0.098 nan 8.300 nan 0.000 0.492 -302 G N 0.200 108.892 108.800 -0.181 0.000 2.599 -302 G HA2 -0.306 3.654 3.960 0.000 0.000 0.219 -302 G HA3 -0.306 3.654 3.960 0.000 0.000 0.219 -302 G C 2.093 176.625 174.900 -0.613 0.000 1.193 -302 G CA 1.163 45.926 45.100 -0.561 0.000 0.778 -302 G HN 0.512 nan 8.290 nan 0.000 0.589 -301 G N -0.282 108.294 108.800 -0.373 0.000 2.440 -301 G HA2 -0.196 3.765 3.960 0.000 0.000 0.218 -301 G HA3 -0.196 3.765 3.960 0.000 0.000 0.218 -301 G C 1.655 176.491 174.900 -0.107 0.000 1.154 -301 G CA 1.211 46.166 45.100 -0.241 0.000 0.767 -301 G HN 0.442 nan 8.290 nan 0.000 0.552 -300 Y N 1.197 121.418 120.300 -0.132 0.000 2.224 -300 Y HA 0.114 4.664 4.550 0.000 0.000 0.289 -300 Y C 3.045 178.904 175.900 -0.068 0.000 1.146 -300 Y CA 0.069 58.121 58.100 -0.079 0.000 1.182 -300 Y CB -1.129 37.305 38.460 -0.043 0.000 0.983 -300 Y HN 0.274 nan 8.280 nan 0.000 0.524 -299 A N -0.279 122.555 122.820 0.023 0.000 1.897 -299 A HA -0.196 4.124 4.320 0.000 0.000 0.215 -299 A C 2.204 179.812 177.584 0.040 0.000 1.181 -299 A CA 1.513 53.567 52.037 0.028 0.000 0.620 -299 A CB -0.722 18.282 19.000 0.006 0.000 0.821 -299 A HN 0.352 nan 8.150 nan 0.000 0.443 -298 Q N 0.769 120.522 119.800 -0.078 0.000 2.096 -298 Q HA -0.150 4.191 4.340 0.000 0.000 0.208 -298 Q C 1.885 177.928 176.000 0.071 0.000 0.993 -298 Q CA 2.479 58.335 55.803 0.089 0.000 0.862 -298 Q CB -0.645 28.113 28.738 0.033 0.000 0.915 -298 Q HN 0.508 nan 8.270 nan 0.000 0.416 -297 S N -0.844 114.877 115.700 0.035 0.000 2.607 -297 S HA 0.227 4.697 4.470 0.000 0.000 0.224 -297 S C 0.909 175.522 174.600 0.021 0.000 0.969 -297 S CA 0.552 58.767 58.200 0.025 0.000 0.927 -297 S CB -0.271 62.936 63.200 0.011 0.000 0.772 -297 S HN 0.709 nan 8.310 nan 0.000 0.533 -296 G N 1.259 110.086 108.800 0.045 0.000 2.198 -296 G HA2 -0.241 3.719 3.960 0.000 0.000 0.257 -296 G HA3 -0.241 3.719 3.960 0.000 0.000 0.257 -296 G C 0.431 175.343 174.900 0.020 0.000 1.042 -296 G CA 0.387 45.512 45.100 0.041 0.000 0.791 -296 G HN 0.538 nan 8.290 nan 0.000 0.502 -295 L N -1.362 119.875 121.223 0.024 0.000 2.556 -295 L HA 0.417 4.757 4.340 0.000 0.000 0.226 -295 L C 1.313 178.225 176.870 0.071 0.000 1.089 -295 L CA 0.091 54.920 54.840 -0.018 0.000 0.864 -295 L CB 0.148 42.133 42.059 -0.123 0.000 1.067 -295 L HN 0.187 nan 8.230 nan 0.000 0.477 -294 L N 0.477 121.771 121.223 0.119 0.000 2.309 -294 L HA 0.564 4.904 4.340 0.000 0.000 0.282 -294 L C 0.351 177.283 176.870 0.105 0.000 1.036 -294 L CA -0.561 54.361 54.840 0.137 0.000 0.806 -294 L CB 1.659 43.834 42.059 0.194 0.000 1.220 -294 L HN -0.055 nan 8.230 nan 0.000 0.429 -293 A N 2.497 125.370 122.820 0.088 0.000 2.388 -293 A HA 0.190 4.510 4.320 0.000 0.000 0.257 -293 A C 0.046 177.676 177.584 0.076 0.000 1.095 -293 A CA -0.336 51.743 52.037 0.071 0.000 0.791 -293 A CB 0.349 19.383 19.000 0.057 0.000 1.029 -293 A HN 0.775 nan 8.150 nan 0.000 0.489 -292 E N 1.614 121.852 120.200 0.062 0.000 2.324 -292 E HA 0.286 4.636 4.350 0.000 0.000 0.271 -292 E C -0.247 176.370 176.600 0.028 0.000 1.028 -292 E CA -0.201 56.230 56.400 0.051 0.000 0.890 -292 E CB 0.232 29.957 29.700 0.042 0.000 1.004 -292 E HN 0.569 nan 8.360 nan 0.000 0.431 -291 I N 1.761 122.329 120.570 -0.003 0.000 2.499 -291 I HA 0.375 4.545 4.170 0.000 0.000 0.296 -291 I C -0.269 175.814 176.117 -0.057 0.000 0.992 -291 I CA -0.516 60.760 61.300 -0.039 0.000 1.297 -291 I CB 1.713 39.584 38.000 -0.215 0.000 1.410 -291 I HN 0.308 nan 8.210 nan 0.000 0.507 -290 T N 3.106 117.647 114.554 -0.023 0.000 3.150 -290 T HA 0.536 4.886 4.350 0.000 0.000 0.383 -290 T C -2.449 172.239 174.700 -0.021 0.000 1.313 -290 T CA -1.323 60.754 62.100 -0.039 0.000 1.235 -290 T CB 0.547 69.404 68.868 -0.018 0.000 1.088 -290 T HN 0.572 nan 8.240 nan 0.000 0.556 -289 P HA 0.408 nan 4.420 nan 0.000 0.286 -289 P C -0.599 176.695 177.300 -0.009 0.000 1.261 -289 P CA -0.404 62.702 63.100 0.010 0.000 0.821 -289 P CB 1.134 32.912 31.700 0.130 0.000 1.013 -288 D N 1.113 121.542 120.400 0.049 0.000 2.411 -288 D HA 0.067 4.707 4.640 0.000 0.000 0.251 -288 D C 1.149 177.476 176.300 0.046 0.000 1.201 -288 D CA -0.385 53.637 54.000 0.036 0.000 0.996 -288 D CB 0.640 41.468 40.800 0.047 0.000 1.101 -288 D HN 0.002 nan 8.370 nan 0.000 0.504 -287 K N 0.349 120.757 120.400 0.012 0.000 2.009 -287 K HA -0.137 4.183 4.320 0.000 0.000 0.210 -287 K C 1.999 178.618 176.600 0.032 0.000 1.049 -287 K CA 1.765 58.047 56.287 -0.007 0.000 0.929 -287 K CB -1.170 31.323 32.500 -0.013 0.000 0.714 -287 K HN 0.590 nan 8.250 nan 0.000 0.440 -286 A N 0.356 123.211 122.820 0.058 0.000 1.903 -286 A HA -0.232 4.088 4.320 0.000 0.000 0.219 -286 A C 2.310 179.959 177.584 0.109 0.000 1.191 -286 A CA 1.982 54.061 52.037 0.071 0.000 0.638 -286 A CB -1.022 18.025 19.000 0.077 0.000 0.823 -286 A HN 0.429 nan 8.150 nan 0.000 0.451 -285 F N 0.462 120.440 119.950 0.046 0.000 2.186 -285 F HA -0.173 4.354 4.527 0.000 0.000 0.299 -285 F C 2.580 178.488 175.800 0.180 0.000 1.090 -285 F CA 2.077 60.144 58.000 0.111 0.000 1.307 -285 F CB -0.183 38.905 39.000 0.147 0.000 1.019 -285 F HN 0.336 nan 8.300 nan 0.000 0.489 -284 Q N -0.421 119.483 119.800 0.174 0.000 2.224 -284 Q HA -0.178 4.162 4.340 0.000 0.000 0.203 -284 Q C 1.328 177.407 176.000 0.130 0.000 0.970 -284 Q CA 1.299 57.162 55.803 0.100 0.000 0.865 -284 Q CB -0.198 28.340 28.738 -0.334 0.000 0.922 -284 Q HN 0.384 nan 8.270 nan 0.000 0.445 -283 D N 0.616 121.029 120.400 0.022 0.000 2.348 -283 D HA -0.069 4.571 4.640 0.000 0.000 0.216 -283 D C 1.209 177.463 176.300 -0.076 0.000 0.970 -283 D CA 0.843 54.837 54.000 -0.010 0.000 0.889 -283 D CB 0.108 40.897 40.800 -0.019 0.000 0.912 -283 D HN 0.181 nan 8.370 nan 0.000 0.524 -282 K N -0.271 120.042 120.400 -0.144 0.000 2.296 -282 K HA 0.098 4.418 4.320 0.000 0.000 0.200 -282 K C 0.673 177.101 176.600 -0.287 0.000 1.048 -282 K CA 0.408 56.543 56.287 -0.254 0.000 0.966 -282 K CB 0.516 32.760 32.500 -0.427 0.000 0.754 -282 K HN 0.119 nan 8.250 nan 0.000 0.466 -281 L N 0.281 121.389 121.223 -0.192 0.000 2.319 -281 L HA 0.353 4.693 4.340 0.000 0.000 0.267 -281 L C -0.344 176.402 176.870 -0.206 0.000 1.011 -281 L CA -1.393 53.291 54.840 -0.261 0.000 0.818 -281 L CB 0.646 42.512 42.059 -0.322 0.000 1.316 -281 L HN -0.089 nan 8.230 nan 0.000 0.432 -280 Y N 1.031 121.236 120.300 -0.158 0.000 2.610 -280 Y HA 0.030 4.580 4.550 0.000 0.000 0.332 -280 Y C -1.372 174.484 175.900 -0.073 0.000 1.201 -280 Y CA -1.093 56.941 58.100 -0.110 0.000 1.465 -280 Y CB -0.119 38.216 38.460 -0.208 0.000 1.283 -280 Y HN 0.437 nan 8.280 nan 0.000 0.563 -279 P HA -0.279 nan 4.420 nan 0.000 0.216 -279 P C 1.383 178.808 177.300 0.208 0.000 1.157 -279 P CA 1.878 65.143 63.100 0.275 0.000 0.880 -279 P CB -0.172 31.675 31.700 0.246 0.000 0.791 -278 F N -0.659 119.381 119.950 0.149 0.000 2.604 -278 F HA -0.034 4.493 4.527 0.000 0.000 0.298 -278 F C 1.637 177.447 175.800 0.017 0.000 1.131 -278 F CA 1.349 59.391 58.000 0.071 0.000 1.457 -278 F CB -1.892 37.124 39.000 0.027 0.000 1.095 -278 F HN -0.092 nan 8.300 nan 0.000 0.574 -277 T N -4.078 110.050 114.554 -0.711 0.000 3.009 -277 T HA -0.059 4.292 4.350 0.000 0.000 0.258 -277 T C 1.505 175.970 174.700 -0.393 0.000 1.063 -277 T CA 0.543 62.246 62.100 -0.662 0.000 1.139 -277 T CB -0.974 67.429 68.868 -0.775 0.000 0.890 -277 T HN 0.524 nan 8.240 nan 0.000 0.471 -276 W N 2.327 123.538 121.300 -0.148 0.000 2.381 -276 W HA 0.051 4.711 4.660 0.000 0.000 0.301 -276 W C 2.101 178.588 176.519 -0.053 0.000 1.205 -276 W CA 0.413 57.710 57.345 -0.080 0.000 1.285 -276 W CB -0.204 29.231 29.460 -0.041 0.000 1.133 -276 W HN 0.178 nan 8.180 nan 0.000 0.521 -275 D N 0.323 120.833 120.400 0.183 0.000 2.133 -275 D HA -0.231 4.409 4.640 0.000 0.000 0.192 -275 D C 2.164 178.513 176.300 0.082 0.000 1.001 -275 D CA 2.057 56.143 54.000 0.143 0.000 0.844 -275 D CB -0.914 39.978 40.800 0.154 0.000 0.944 -275 D HN 0.171 nan 8.370 nan 0.000 0.447 -274 A N 0.593 123.387 122.820 -0.044 0.000 2.067 -274 A HA -0.068 4.252 4.320 0.000 0.000 0.219 -274 A C 2.093 179.625 177.584 -0.088 0.000 1.158 -274 A CA 1.227 53.137 52.037 -0.212 0.000 0.661 -274 A CB -0.259 18.344 19.000 -0.663 0.000 0.801 -274 A HN 0.248 nan 8.150 nan 0.000 0.452 -273 V N -2.895 117.002 119.914 -0.029 0.000 3.342 -273 V HA 0.361 4.481 4.120 0.000 0.000 0.322 -273 V C 0.465 176.639 176.094 0.134 0.000 1.370 -273 V CA -0.247 62.063 62.300 0.017 0.000 1.170 -273 V CB -0.959 30.825 31.823 -0.064 0.000 1.101 -273 V HN 0.402 nan 8.190 nan 0.000 0.442 -272 R N 0.646 121.245 120.500 0.166 0.000 2.346 -272 R HA 0.509 4.849 4.340 0.000 0.000 0.311 -272 R C -1.806 174.648 176.300 0.258 0.000 0.983 -272 R CA -0.763 55.448 56.100 0.185 0.000 0.880 -272 R CB 1.375 31.763 30.300 0.147 0.000 1.100 -272 R HN 0.454 nan 8.270 nan 0.000 0.453 -271 Y N 4.395 124.751 120.300 0.092 0.000 2.322 -271 Y HA 0.195 4.745 4.550 0.000 0.000 0.324 -271 Y C -0.743 175.198 175.900 0.069 0.000 1.027 -271 Y CA -0.909 57.244 58.100 0.089 0.000 1.179 -271 Y CB 1.044 39.565 38.460 0.102 0.000 1.136 -271 Y HN 0.966 nan 8.280 nan 0.000 0.449 -270 N N 3.934 122.365 118.700 -0.447 0.000 2.725 -270 N HA -0.221 4.519 4.740 0.000 0.000 0.251 -270 N C 0.864 176.320 175.510 -0.090 0.000 1.031 -270 N CA 0.985 53.872 53.050 -0.271 0.000 0.720 -270 N CB -0.896 37.412 38.487 -0.298 0.000 0.930 -270 N HN 1.252 nan 8.380 nan 0.000 0.543 -269 G N -0.956 107.822 108.800 -0.035 0.000 2.166 -269 G HA2 -0.385 3.575 3.960 0.000 0.000 0.260 -269 G HA3 -0.385 3.575 3.960 0.000 0.000 0.260 -269 G C -0.070 174.835 174.900 0.008 0.000 0.986 -269 G CA 0.944 46.041 45.100 -0.005 0.000 0.683 -269 G HN 0.507 nan 8.290 nan 0.000 0.527 -268 K N -0.259 120.162 120.400 0.034 0.000 2.270 -268 K HA 0.589 4.909 4.320 0.000 0.000 0.255 -268 K C 0.348 176.996 176.600 0.081 0.000 0.936 -268 K CA -0.911 55.405 56.287 0.048 0.000 0.809 -268 K CB 1.699 34.238 32.500 0.066 0.000 1.131 -268 K HN 0.121 nan 8.250 nan 0.000 0.427 -267 L N 4.806 126.056 121.223 0.044 0.000 2.361 -267 L HA 0.138 4.478 4.340 0.000 0.000 0.278 -267 L C 0.844 177.755 176.870 0.067 0.000 1.113 -267 L CA -0.145 54.733 54.840 0.064 0.000 0.849 -267 L CB 0.111 42.168 42.059 -0.003 0.000 1.155 -267 L HN 0.673 nan 8.230 nan 0.000 0.452 -266 I N 0.294 120.929 120.570 0.109 0.000 4.081 -266 I HA 0.659 4.829 4.170 0.000 0.000 0.333 -266 I C 0.357 176.553 176.117 0.131 0.000 1.413 -266 I CA -0.174 61.209 61.300 0.137 0.000 1.110 -266 I CB 0.373 38.502 38.000 0.216 0.000 1.082 -266 I HN 0.446 nan 8.210 nan 0.000 0.402 -265 A N -0.452 122.375 122.820 0.013 0.000 2.544 -265 A HA 0.695 5.015 4.320 0.000 0.000 0.291 -265 A C -2.026 175.447 177.584 -0.185 0.000 1.055 -265 A CA -0.577 51.423 52.037 -0.062 0.000 0.651 -265 A CB 0.293 19.184 19.000 -0.182 0.000 1.296 -265 A HN 0.090 nan 8.150 nan 0.000 0.431 -264 Y N 0.606 120.882 120.300 -0.040 0.000 2.326 -264 Y HA 0.476 5.026 4.550 0.000 0.000 0.337 -264 Y C -2.179 173.580 175.900 -0.234 0.000 1.023 -264 Y CA -1.786 56.263 58.100 -0.085 0.000 1.143 -264 Y CB 1.196 39.658 38.460 0.003 0.000 1.183 -264 Y HN 0.372 nan 8.280 nan 0.000 0.485 -263 P HA 0.088 nan 4.420 nan 0.000 0.275 -263 P C -0.029 177.196 177.300 -0.124 0.000 1.227 -263 P CA 0.182 63.104 63.100 -0.296 0.000 0.781 -263 P CB 1.073 32.438 31.700 -0.558 0.000 0.906 -262 I N 0.772 121.322 120.570 -0.033 0.000 3.673 -262 I HA 0.415 4.585 4.170 0.000 0.000 0.281 -262 I C 0.812 176.954 176.117 0.041 0.000 1.182 -262 I CA 0.316 61.652 61.300 0.060 0.000 1.391 -262 I CB -0.744 37.372 38.000 0.193 0.000 1.383 -262 I HN 0.308 nan 8.210 nan 0.000 0.456 -261 A N 0.482 123.318 122.820 0.028 0.000 2.597 -261 A HA 0.636 4.956 4.320 0.000 0.000 0.292 -261 A C -1.427 176.187 177.584 0.050 0.000 1.057 -261 A CA -0.372 51.691 52.037 0.044 0.000 0.674 -261 A CB 1.274 20.314 19.000 0.067 0.000 1.278 -261 A HN -0.182 nan 8.150 nan 0.000 0.416 -260 V N 1.989 121.947 119.914 0.074 0.000 2.472 -260 V HA 0.590 4.710 4.120 0.000 0.000 0.290 -260 V C -0.161 176.005 176.094 0.120 0.000 1.037 -260 V CA -0.228 62.144 62.300 0.121 0.000 0.908 -260 V CB 1.423 33.352 31.823 0.176 0.000 0.985 -260 V HN 0.943 nan 8.190 nan 0.000 0.454 -259 E N 4.060 124.357 120.200 0.161 0.000 2.256 -259 E HA 0.845 5.195 4.350 0.000 0.000 0.268 -259 E C -0.984 175.752 176.600 0.226 0.000 0.877 -259 E CA -0.931 55.581 56.400 0.187 0.000 0.757 -259 E CB 2.564 32.444 29.700 0.300 0.000 1.183 -259 E HN 0.686 nan 8.360 nan 0.000 0.418 -258 A N 3.676 126.591 122.820 0.158 0.000 2.539 -258 A HA 0.544 4.864 4.320 0.000 0.000 0.296 -258 A C -0.870 176.760 177.584 0.077 0.000 1.073 -258 A CA -0.891 51.237 52.037 0.153 0.000 0.700 -258 A CB 1.168 20.239 19.000 0.119 0.000 1.296 -258 A HN 0.635 nan 8.150 nan 0.000 0.405 -257 L N 1.302 122.555 121.223 0.051 0.000 2.417 -257 L HA 0.491 4.831 4.340 0.000 0.000 0.268 -257 L C 0.497 177.381 176.870 0.024 0.000 1.158 -257 L CA 0.028 54.872 54.840 0.007 0.000 0.819 -257 L CB 1.363 43.400 42.059 -0.037 0.000 1.112 -257 L HN 0.712 nan 8.230 nan 0.000 0.458 -256 S N 1.667 117.389 115.700 0.036 0.000 2.632 -256 S HA 0.508 4.978 4.470 0.000 0.000 0.289 -256 S C -0.929 173.686 174.600 0.025 0.000 1.115 -256 S CA -0.644 57.588 58.200 0.054 0.000 0.889 -256 S CB 2.036 65.310 63.200 0.123 0.000 1.116 -256 S HN 0.378 nan 8.310 nan 0.000 0.486 -255 L N 2.705 123.927 121.223 -0.002 0.000 2.361 -255 L HA 0.490 4.830 4.340 0.000 0.000 0.278 -255 L C -1.197 175.709 176.870 0.060 0.000 1.113 -255 L CA 0.471 55.294 54.840 -0.028 0.000 0.849 -255 L CB -0.391 41.605 42.059 -0.105 0.000 1.155 -255 L HN 0.510 nan 8.230 nan 0.000 0.452 -254 I N 6.662 127.238 120.570 0.010 0.000 2.377 -254 I HA 0.418 4.588 4.170 0.000 0.000 0.293 -254 I C -0.874 175.295 176.117 0.087 0.000 0.987 -254 I CA -0.680 60.619 61.300 -0.000 0.000 1.185 -254 I CB 1.251 39.105 38.000 -0.244 0.000 1.341 -254 I HN 0.654 nan 8.210 nan 0.000 0.455 -253 Y N 4.162 124.538 120.300 0.127 0.000 2.588 -253 Y HA 0.527 5.077 4.550 0.000 0.000 0.343 -253 Y C -1.182 174.968 175.900 0.416 0.000 1.065 -253 Y CA -1.547 56.732 58.100 0.298 0.000 1.038 -253 Y CB 1.036 39.563 38.460 0.113 0.000 1.297 -253 Y HN 0.443 nan 8.280 nan 0.000 0.467 -252 N N 2.363 121.212 118.700 0.248 0.000 2.439 -252 N HA 0.199 4.939 4.740 0.000 0.000 0.249 -252 N C -0.038 175.457 175.510 -0.025 0.000 1.003 -252 N CA -0.218 52.835 53.050 0.005 0.000 0.942 -252 N CB 1.279 39.678 38.487 -0.148 0.000 1.115 -252 N HN 0.893 nan 8.380 nan 0.000 0.505 -251 K N 1.573 121.894 120.400 -0.132 0.000 2.362 -251 K HA -0.049 4.271 4.320 0.000 0.000 0.200 -251 K C 0.250 176.849 176.600 -0.001 0.000 1.046 -251 K CA 0.915 57.167 56.287 -0.059 0.000 0.952 -251 K CB 0.442 32.868 32.500 -0.123 0.000 0.753 -251 K HN 0.497 nan 8.250 nan 0.000 0.466 -250 D N 0.257 120.641 120.400 -0.026 0.000 2.240 -250 D HA -0.017 4.623 4.640 0.000 0.000 0.206 -250 D C 1.694 177.990 176.300 -0.007 0.000 0.963 -250 D CA 0.760 54.747 54.000 -0.021 0.000 0.863 -250 D CB 0.247 41.024 40.800 -0.039 0.000 0.973 -250 D HN 0.138 nan 8.370 nan 0.000 0.501 -249 L N -0.423 120.799 121.223 -0.001 0.000 2.249 -249 L HA 0.163 4.503 4.340 0.000 0.000 0.207 -249 L C 0.783 177.680 176.870 0.044 0.000 1.090 -249 L CA 0.471 55.318 54.840 0.010 0.000 0.802 -249 L CB 0.595 42.651 42.059 -0.005 0.000 0.947 -249 L HN -0.110 nan 8.230 nan 0.000 0.453 -248 L N 0.329 121.607 121.223 0.091 0.000 2.492 -248 L HA 0.237 4.577 4.340 0.000 0.000 0.258 -248 L C -1.887 175.084 176.870 0.169 0.000 1.028 -248 L CA -1.229 53.683 54.840 0.120 0.000 0.900 -248 L CB 2.088 44.250 42.059 0.171 0.000 1.191 -248 L HN -0.180 nan 8.230 nan 0.000 0.459 -247 P HA -0.066 nan 4.420 nan 0.000 0.217 -247 P C -0.064 177.297 177.300 0.101 0.000 1.150 -247 P CA 1.167 64.330 63.100 0.104 0.000 0.832 -247 P CB 0.256 31.983 31.700 0.044 0.000 0.787 -246 N N 0.128 118.841 118.700 0.023 0.000 2.626 -246 N HA 0.208 4.948 4.740 0.000 0.000 0.242 -246 N C -2.571 172.847 175.510 -0.154 0.000 1.005 -246 N CA -1.457 51.554 53.050 -0.065 0.000 0.905 -246 N CB 0.757 39.212 38.487 -0.053 0.000 1.128 -246 N HN 0.130 nan 8.380 nan 0.000 0.512 -245 P HA 0.144 nan 4.420 nan 0.000 0.267 -245 P C -2.457 174.676 177.300 -0.278 0.000 1.200 -245 P CA -0.689 62.152 63.100 -0.432 0.000 0.772 -245 P CB 0.011 31.157 31.700 -0.923 0.000 0.855 -244 P HA 0.147 nan 4.420 nan 0.000 0.274 -244 P C 0.497 177.681 177.300 -0.193 0.000 1.237 -244 P CA -0.204 62.794 63.100 -0.170 0.000 0.793 -244 P CB 0.951 32.563 31.700 -0.147 0.000 0.977 -243 K N -0.189 120.125 120.400 -0.143 0.000 2.262 -243 K HA 0.073 4.393 4.320 0.000 0.000 0.200 -243 K C 1.136 177.663 176.600 -0.121 0.000 1.049 -243 K CA 1.043 57.253 56.287 -0.128 0.000 0.979 -243 K CB -0.419 32.027 32.500 -0.090 0.000 0.773 -243 K HN 0.698 nan 8.250 nan 0.000 0.474 -242 T N -4.011 110.481 114.554 -0.103 0.000 2.908 -242 T HA 0.287 4.637 4.350 0.000 0.000 0.290 -242 T C 0.635 175.305 174.700 -0.051 0.000 1.034 -242 T CA -0.860 61.212 62.100 -0.047 0.000 1.010 -242 T CB 1.092 69.961 68.868 0.001 0.000 1.068 -242 T HN 0.127 nan 8.240 nan 0.000 0.481 -241 W N 0.843 122.126 121.300 -0.027 0.000 2.358 -241 W HA 0.048 4.708 4.660 0.000 0.000 0.303 -241 W C 2.236 178.813 176.519 0.097 0.000 1.208 -241 W CA 1.195 58.535 57.345 -0.010 0.000 1.274 -241 W CB -0.264 29.076 29.460 -0.200 0.000 1.138 -241 W HN 0.830 nan 8.180 nan 0.000 0.515 -240 E N 0.208 120.548 120.200 0.234 0.000 2.130 -240 E HA -0.243 4.107 4.350 0.000 0.000 0.196 -240 E C 1.649 178.390 176.600 0.236 0.000 0.998 -240 E CA 1.713 58.281 56.400 0.281 0.000 0.806 -240 E CB -0.463 29.316 29.700 0.132 0.000 0.738 -240 E HN 0.369 nan 8.360 nan 0.000 0.459 -239 E N -0.148 120.128 120.200 0.127 0.000 2.204 -239 E HA -0.165 4.186 4.350 0.000 0.000 0.195 -239 E C 1.887 178.518 176.600 0.051 0.000 0.990 -239 E CA 0.537 56.972 56.400 0.058 0.000 0.821 -239 E CB -0.113 29.587 29.700 0.000 0.000 0.750 -239 E HN 0.302 nan 8.360 nan 0.000 0.477 -238 I N 0.796 121.428 120.570 0.104 0.000 2.179 -238 I HA -0.210 3.960 4.170 0.000 0.000 0.242 -238 I C -0.952 175.130 176.117 -0.058 0.000 1.088 -238 I CA 1.019 62.352 61.300 0.056 0.000 1.357 -238 I CB -0.890 37.189 38.000 0.132 0.000 1.051 -238 I HN 0.065 nan 8.210 nan 0.000 0.409 -237 P HA -0.242 nan 4.420 nan 0.000 0.215 -237 P C 1.447 178.573 177.300 -0.291 0.000 1.157 -237 P CA 2.132 64.966 63.100 -0.444 0.000 0.874 -237 P CB -0.075 31.523 31.700 -0.170 0.000 0.790 -236 A N -1.154 121.614 122.820 -0.086 0.000 1.969 -236 A HA -0.141 4.179 4.320 0.000 0.000 0.218 -236 A C 2.084 179.649 177.584 -0.031 0.000 1.169 -236 A CA 1.173 53.191 52.037 -0.031 0.000 0.635 -236 A CB -1.513 17.490 19.000 0.004 0.000 0.810 -236 A HN 0.134 nan 8.150 nan 0.000 0.445 -235 L N 0.137 121.335 121.223 -0.041 0.000 2.156 -235 L HA -0.071 4.269 4.340 0.000 0.000 0.208 -235 L C 1.750 178.612 176.870 -0.014 0.000 1.095 -235 L CA 2.462 57.289 54.840 -0.022 0.000 0.770 -235 L CB -0.705 41.341 42.059 -0.021 0.000 0.914 -235 L HN 0.463 nan 8.230 nan 0.000 0.439 -234 D N -0.819 119.552 120.400 -0.047 0.000 2.149 -234 D HA -0.199 4.441 4.640 0.000 0.000 0.201 -234 D C 2.209 178.542 176.300 0.056 0.000 0.972 -234 D CA 1.037 55.041 54.000 0.008 0.000 0.835 -234 D CB 0.047 40.840 40.800 -0.013 0.000 0.966 -234 D HN 0.186 nan 8.370 nan 0.000 0.476 -233 K N 0.124 120.551 120.400 0.044 0.000 2.032 -233 K HA -0.178 4.142 4.320 0.000 0.000 0.209 -233 K C 1.817 178.447 176.600 0.049 0.000 1.048 -233 K CA 1.577 57.913 56.287 0.080 0.000 0.927 -233 K CB -0.044 32.504 32.500 0.079 0.000 0.712 -233 K HN 0.393 nan 8.250 nan 0.000 0.441 -232 E N 0.089 120.307 120.200 0.030 0.000 2.285 -232 E HA -0.121 4.229 4.350 0.000 0.000 0.194 -232 E C 1.921 178.534 176.600 0.023 0.000 0.997 -232 E CA 0.536 56.950 56.400 0.023 0.000 0.845 -232 E CB -0.033 29.676 29.700 0.015 0.000 0.782 -232 E HN 0.268 nan 8.360 nan 0.000 0.491 -231 L N 0.554 121.793 121.223 0.027 0.000 2.375 -231 L HA 0.038 4.378 4.340 0.000 0.000 0.215 -231 L C 2.198 179.086 176.870 0.030 0.000 1.108 -231 L CA 0.262 55.117 54.840 0.026 0.000 0.830 -231 L CB 0.024 42.101 42.059 0.029 0.000 0.959 -231 L HN -0.062 nan 8.230 nan 0.000 0.457 -230 K N 0.692 121.117 120.400 0.042 0.000 2.147 -230 K HA -0.066 4.254 4.320 0.000 0.000 0.205 -230 K C 2.084 178.700 176.600 0.027 0.000 1.049 -230 K CA 1.372 57.683 56.287 0.040 0.000 0.936 -230 K CB -0.376 32.157 32.500 0.056 0.000 0.722 -230 K HN 0.248 nan 8.250 nan 0.000 0.446 -229 A N 1.272 124.108 122.820 0.025 0.000 2.125 -229 A HA -0.128 4.192 4.320 0.000 0.000 0.219 -229 A C 1.462 179.053 177.584 0.012 0.000 1.156 -229 A CA 1.280 53.327 52.037 0.018 0.000 0.671 -229 A CB -0.140 18.871 19.000 0.017 0.000 0.794 -229 A HN 0.258 nan 8.150 nan 0.000 0.459 -228 K N -1.351 119.056 120.400 0.011 0.000 2.455 -228 K HA 0.326 4.646 4.320 0.000 0.000 0.206 -228 K C 0.703 177.305 176.600 0.003 0.000 1.027 -228 K CA 0.310 56.600 56.287 0.005 0.000 1.113 -228 K CB 0.308 32.810 32.500 0.004 0.000 0.850 -228 K HN 0.502 nan 8.250 nan 0.000 0.503 -227 G N 2.157 110.961 108.800 0.006 0.000 2.198 -227 G HA2 -0.259 3.701 3.960 0.000 0.000 0.257 -227 G HA3 -0.259 3.701 3.960 0.000 0.000 0.257 -227 G C -0.164 174.738 174.900 0.003 0.000 1.042 -227 G CA 0.439 45.541 45.100 0.004 0.000 0.791 -227 G HN 0.163 nan 8.290 nan 0.000 0.502 -226 K N -1.057 119.348 120.400 0.009 0.000 2.283 -226 K HA 0.821 5.141 4.320 0.000 0.000 0.257 -226 K C -0.511 176.106 176.600 0.027 0.000 1.066 -226 K CA -0.232 56.061 56.287 0.009 0.000 0.891 -226 K CB 1.843 34.344 32.500 0.001 0.000 1.438 -226 K HN 0.479 nan 8.250 nan 0.000 0.464 -225 S N -1.067 114.654 115.700 0.036 0.000 2.546 -225 S HA 0.557 5.027 4.470 0.000 0.000 0.274 -225 S C 0.220 174.865 174.600 0.076 0.000 1.121 -225 S CA -0.014 58.222 58.200 0.060 0.000 0.887 -225 S CB 1.727 64.966 63.200 0.064 0.000 1.094 -225 S HN 0.616 nan 8.310 nan 0.000 0.474 -224 A N 2.387 125.258 122.820 0.086 0.000 1.872 -224 A HA 0.407 4.727 4.320 0.000 0.000 0.214 -224 A C 0.551 178.209 177.584 0.125 0.000 1.187 -224 A CA 1.196 53.284 52.037 0.085 0.000 0.614 -224 A CB -0.466 18.568 19.000 0.057 0.000 0.826 -224 A HN 1.253 nan 8.150 nan 0.000 0.442 -223 L N -1.331 119.987 121.223 0.158 0.000 2.588 -223 L HA 0.654 4.994 4.340 0.000 0.000 0.263 -223 L C -1.402 175.621 176.870 0.256 0.000 0.935 -223 L CA -0.134 54.839 54.840 0.221 0.000 0.891 -223 L CB 1.681 43.876 42.059 0.227 0.000 1.318 -223 L HN 0.280 nan 8.230 nan 0.000 0.409 -222 M N 6.217 125.983 119.600 0.276 0.000 2.263 -222 M HA 0.652 5.132 4.480 0.000 0.000 0.295 -222 M C -1.427 175.044 176.300 0.284 0.000 1.028 -222 M CA -0.451 54.965 55.300 0.192 0.000 0.921 -222 M CB 1.888 34.553 32.600 0.109 0.000 1.601 -222 M HN 0.608 nan 8.290 nan 0.000 0.440 -221 F N 0.130 120.099 119.950 0.031 0.000 2.711 -221 F HA 0.581 5.108 4.527 0.000 0.000 0.313 -221 F C -0.698 175.041 175.800 -0.101 0.000 1.141 -221 F CA -1.417 56.563 58.000 -0.033 0.000 0.941 -221 F CB 0.794 39.842 39.000 0.080 0.000 1.349 -221 F HN 0.427 nan 8.300 nan 0.000 0.464 -220 N N 1.638 120.206 118.700 -0.219 0.000 2.416 -220 N HA 0.147 4.887 4.740 0.000 0.000 0.271 -220 N C 0.215 175.599 175.510 -0.210 0.000 1.245 -220 N CA 0.114 52.962 53.050 -0.337 0.000 0.940 -220 N CB 0.364 38.483 38.487 -0.613 0.000 1.175 -220 N HN 0.803 nan 8.380 nan 0.000 0.483 -219 L N 2.065 123.147 121.223 -0.234 0.000 2.558 -219 L HA 0.060 4.400 4.340 0.000 0.000 0.225 -219 L C 1.351 178.222 176.870 0.001 0.000 1.128 -219 L CA 0.313 55.072 54.840 -0.135 0.000 0.868 -219 L CB 0.014 41.944 42.059 -0.215 0.000 1.006 -219 L HN 0.480 nan 8.230 nan 0.000 0.454 -218 Q N -0.294 119.509 119.800 0.004 0.000 2.360 -218 Q HA 0.167 4.507 4.340 0.000 0.000 0.202 -218 Q C -0.103 175.957 176.000 0.100 0.000 0.915 -218 Q CA 0.456 56.279 55.803 0.033 0.000 0.943 -218 Q CB 0.661 29.405 28.738 0.010 0.000 1.064 -218 Q HN 0.266 nan 8.270 nan 0.000 0.511 -217 E N 1.105 121.431 120.200 0.210 0.000 2.244 -217 E HA 0.199 4.549 4.350 0.000 0.000 0.260 -217 E C -1.971 174.895 176.600 0.444 0.000 0.884 -217 E CA -1.978 54.608 56.400 0.310 0.000 0.777 -217 E CB 2.223 32.174 29.700 0.420 0.000 1.197 -217 E HN -0.164 nan 8.360 nan 0.000 0.416 -216 P HA -0.178 nan 4.420 nan 0.000 0.221 -216 P C 1.339 179.002 177.300 0.605 0.000 1.145 -216 P CA 0.823 64.202 63.100 0.465 0.000 0.795 -216 P CB 0.164 32.157 31.700 0.490 0.000 0.775 -215 Y N 0.258 120.699 120.300 0.235 0.000 2.241 -215 Y HA -0.203 4.347 4.550 0.000 0.000 0.286 -215 Y C 1.906 177.927 175.900 0.202 0.000 1.166 -215 Y CA 1.640 59.792 58.100 0.087 0.000 1.203 -215 Y CB -0.976 37.291 38.460 -0.322 0.000 0.977 -215 Y HN -0.193 nan 8.280 nan 0.000 0.529 -214 F N -1.140 119.051 119.950 0.402 0.000 2.512 -214 F HA -0.040 4.487 4.527 0.000 0.000 0.296 -214 F C 2.289 178.298 175.800 0.348 0.000 1.110 -214 F CA 1.260 59.479 58.000 0.366 0.000 1.446 -214 F CB -0.392 38.934 39.000 0.543 0.000 1.092 -214 F HN 0.023 nan 8.300 nan 0.000 0.554 -213 T N -3.492 111.405 114.554 0.571 0.000 3.060 -213 T HA -0.111 4.239 4.350 0.000 0.000 0.249 -213 T C 1.730 176.589 174.700 0.265 0.000 1.079 -213 T CA -0.181 62.164 62.100 0.408 0.000 1.013 -213 T CB -0.510 68.574 68.868 0.360 0.000 0.975 -213 T HN 0.499 nan 8.240 nan 0.000 0.518 -212 W N 2.855 124.246 121.300 0.153 0.000 2.388 -212 W HA 0.005 4.665 4.660 0.000 0.000 0.294 -212 W C -1.820 174.686 176.519 -0.021 0.000 1.212 -212 W CA 0.495 57.901 57.345 0.101 0.000 1.271 -212 W CB -0.818 28.790 29.460 0.247 0.000 1.126 -212 W HN 0.248 nan 8.180 nan 0.000 0.535 -211 P HA -0.183 nan 4.420 nan 0.000 0.221 -211 P C 1.614 178.782 177.300 -0.220 0.000 1.145 -211 P CA 1.418 64.451 63.100 -0.112 0.000 0.795 -211 P CB -0.388 31.320 31.700 0.014 0.000 0.775 -210 L N -1.787 119.264 121.223 -0.286 0.000 2.253 -210 L HA 0.163 4.503 4.340 0.000 0.000 0.205 -210 L C 2.020 178.575 176.870 -0.524 0.000 1.078 -210 L CA 1.295 55.835 54.840 -0.500 0.000 0.805 -210 L CB -0.991 40.572 42.059 -0.826 0.000 0.963 -210 L HN -0.210 nan 8.230 nan 0.000 0.459 -209 I N 0.427 120.712 120.570 -0.476 0.000 2.454 -209 I HA -0.195 3.975 4.170 0.000 0.000 0.254 -209 I C 2.354 178.103 176.117 -0.614 0.000 1.156 -209 I CA 1.133 62.143 61.300 -0.483 0.000 1.433 -209 I CB -0.412 37.333 38.000 -0.426 0.000 1.082 -209 I HN 0.405 nan 8.210 nan 0.000 0.432 -208 A N 0.274 122.603 122.820 -0.819 0.000 2.132 -208 A HA 0.219 4.539 4.320 0.000 0.000 0.213 -208 A C 2.497 179.884 177.584 -0.328 0.000 1.154 -208 A CA 0.871 52.474 52.037 -0.723 0.000 0.753 -208 A CB -0.388 18.033 19.000 -0.965 0.000 0.826 -208 A HN 0.342 nan 8.150 nan 0.000 0.469 -207 A N 0.282 122.957 122.820 -0.241 0.000 1.903 -207 A HA -0.241 4.079 4.320 0.000 0.000 0.219 -207 A C 1.634 179.205 177.584 -0.022 0.000 1.191 -207 A CA 2.216 54.210 52.037 -0.071 0.000 0.638 -207 A CB -0.384 18.640 19.000 0.040 0.000 0.823 -207 A HN 0.437 nan 8.150 nan 0.000 0.451 -206 D N -3.076 117.328 120.400 0.007 0.000 2.559 -206 D HA 0.382 5.023 4.640 0.000 0.000 0.234 -206 D C 0.713 177.002 176.300 -0.017 0.000 1.226 -206 D CA 0.836 54.837 54.000 0.000 0.000 0.830 -206 D CB -0.065 40.763 40.800 0.046 0.000 1.028 -206 D HN 0.551 nan 8.370 nan 0.000 0.492 -205 G N -0.937 107.845 108.800 -0.030 0.000 2.227 -205 G HA2 -0.056 3.904 3.960 0.000 0.000 0.168 -205 G HA3 -0.056 3.904 3.960 0.000 0.000 0.168 -205 G C 0.658 175.578 174.900 0.032 0.000 1.006 -205 G CA -0.293 44.819 45.100 0.020 0.000 0.684 -205 G HN 0.550 nan 8.290 nan 0.000 0.489 -204 G N 0.259 108.992 108.800 -0.113 0.000 2.432 -204 G HA2 0.712 4.672 3.960 0.000 0.000 0.257 -204 G HA3 0.712 4.672 3.960 0.000 0.000 0.257 -204 G C -0.356 174.487 174.900 -0.095 0.000 1.238 -204 G CA 0.149 45.130 45.100 -0.198 0.000 0.838 -204 G HN 1.392 nan 8.290 nan 0.000 0.547 -203 Y N -0.915 119.412 120.300 0.045 0.000 2.588 -203 Y HA 0.748 5.298 4.550 0.000 0.000 0.343 -203 Y C 0.652 176.727 175.900 0.292 0.000 1.065 -203 Y CA -0.909 57.315 58.100 0.207 0.000 1.038 -203 Y CB 0.850 39.385 38.460 0.124 0.000 1.297 -203 Y HN 0.690 nan 8.280 nan 0.000 0.467 -202 A N 1.794 124.799 122.820 0.307 0.000 1.889 -202 A HA 0.248 4.568 4.320 0.000 0.000 0.209 -202 A C -0.374 176.962 177.584 -0.414 0.000 1.315 -202 A CA 1.056 52.767 52.037 -0.544 0.000 0.611 -202 A CB -0.660 17.682 19.000 -1.095 0.000 0.950 -202 A HN 0.582 nan 8.150 nan 0.000 0.477 -201 F N -0.804 119.280 119.950 0.223 0.000 2.482 -201 F HA 0.545 5.072 4.527 0.000 0.000 0.331 -201 F C 0.129 176.193 175.800 0.440 0.000 1.115 -201 F CA -1.073 57.128 58.000 0.336 0.000 0.955 -201 F CB 1.508 40.623 39.000 0.193 0.000 1.136 -201 F HN 0.131 nan 8.300 nan 0.000 0.452 -200 K N 2.236 122.934 120.400 0.496 0.000 2.451 -200 K HA 0.030 4.351 4.320 0.000 0.000 0.280 -200 K C -1.363 175.342 176.600 0.175 0.000 1.020 -200 K CA 0.182 56.534 56.287 0.108 0.000 1.008 -200 K CB 0.067 32.563 32.500 -0.007 0.000 0.917 -200 K HN 0.591 nan 8.250 nan 0.000 0.478 -199 Y N 3.185 123.449 120.300 -0.060 0.000 2.327 -199 Y HA 0.252 4.802 4.550 0.000 0.000 0.336 -199 Y C -0.673 175.130 175.900 -0.161 0.000 1.035 -199 Y CA 0.006 57.970 58.100 -0.227 0.000 1.165 -199 Y CB 0.937 39.220 38.460 -0.295 0.000 1.181 -199 Y HN 0.651 nan 8.280 nan 0.000 0.494 -198 E N 6.006 125.893 120.200 -0.522 0.000 2.361 -198 E HA 0.144 4.495 4.350 0.000 0.000 0.270 -198 E C -1.200 175.155 176.600 -0.409 0.000 0.911 -198 E CA -0.737 55.478 56.400 -0.308 0.000 0.818 -198 E CB 0.710 30.317 29.700 -0.155 0.000 1.332 -198 E HN 0.834 nan 8.360 nan 0.000 0.402 -197 N N 2.373 120.905 118.700 -0.279 0.000 2.667 -197 N HA -0.307 4.433 4.740 0.000 0.000 0.263 -197 N C 0.626 175.962 175.510 -0.290 0.000 1.038 -197 N CA 1.021 53.957 53.050 -0.190 0.000 0.749 -197 N CB -1.519 36.902 38.487 -0.109 0.000 0.892 -197 N HN 0.956 nan 8.380 nan 0.000 0.546 -196 G N -1.213 107.315 108.800 -0.454 0.000 2.320 -196 G HA2 -0.343 3.617 3.960 0.000 0.000 0.242 -196 G HA3 -0.343 3.617 3.960 0.000 0.000 0.242 -196 G C -0.007 174.587 174.900 -0.510 0.000 1.033 -196 G CA 0.882 45.803 45.100 -0.298 0.000 0.620 -196 G HN 0.610 nan 8.290 nan 0.000 0.517 -195 K N 0.318 120.327 120.400 -0.652 0.000 2.164 -195 K HA 0.645 4.965 4.320 0.000 0.000 0.258 -195 K C -0.653 175.622 176.600 -0.541 0.000 0.951 -195 K CA -0.989 55.046 56.287 -0.421 0.000 0.844 -195 K CB 0.937 33.308 32.500 -0.214 0.000 1.099 -195 K HN 0.211 nan 8.250 nan 0.000 0.435 -194 Y N 0.682 120.895 120.300 -0.145 0.000 2.319 -194 Y HA 0.052 4.602 4.550 0.000 0.000 0.328 -194 Y C 0.740 176.607 175.900 -0.055 0.000 1.133 -194 Y CA -0.090 57.993 58.100 -0.030 0.000 1.265 -194 Y CB 0.728 39.210 38.460 0.037 0.000 1.218 -194 Y HN 0.409 nan 8.280 nan 0.000 0.508 -193 D N 4.040 124.533 120.400 0.155 0.000 2.428 -193 D HA 0.128 4.768 4.640 0.000 0.000 0.221 -193 D C 0.846 177.235 176.300 0.149 0.000 1.123 -193 D CA -0.272 53.794 54.000 0.111 0.000 0.869 -193 D CB 0.330 41.192 40.800 0.103 0.000 1.032 -193 D HN 0.575 nan 8.370 nan 0.000 0.506 -192 I N 0.260 120.828 120.570 -0.003 0.000 3.083 -192 I HA -0.022 4.148 4.170 0.000 0.000 0.273 -192 I C 1.090 177.284 176.117 0.128 0.000 1.297 -192 I CA 0.559 61.809 61.300 -0.083 0.000 1.452 -192 I CB -0.019 37.836 38.000 -0.241 0.000 1.078 -192 I HN 0.033 nan 8.210 nan 0.000 0.484 -191 K N 0.632 121.110 120.400 0.130 0.000 2.404 -191 K HA 0.103 4.423 4.320 0.000 0.000 0.194 -191 K C -0.125 176.583 176.600 0.180 0.000 1.023 -191 K CA 0.079 56.448 56.287 0.136 0.000 1.094 -191 K CB 0.197 32.749 32.500 0.088 0.000 0.841 -191 K HN 0.211 nan 8.250 nan 0.000 0.523 -190 D N 1.046 121.600 120.400 0.258 0.000 2.389 -190 D HA 0.147 4.787 4.640 0.000 0.000 0.256 -190 D C -1.471 175.081 176.300 0.421 0.000 1.239 -190 D CA -0.377 53.801 54.000 0.297 0.000 0.925 -190 D CB 1.134 42.095 40.800 0.269 0.000 1.145 -190 D HN -0.285 nan 8.370 nan 0.000 0.542 -189 V N 2.296 122.371 119.914 0.269 0.000 2.513 -189 V HA 0.705 4.825 4.120 0.000 0.000 0.299 -189 V C 1.073 177.049 176.094 -0.198 0.000 1.035 -189 V CA -0.682 61.680 62.300 0.103 0.000 0.889 -189 V CB 2.062 33.944 31.823 0.098 0.000 0.988 -189 V HN 0.626 nan 8.190 nan 0.000 0.440 -188 G N 2.867 111.230 108.800 -0.729 0.000 4.637 -188 G HA2 0.357 4.317 3.960 0.000 0.000 0.308 -188 G HA3 0.357 4.317 3.960 0.000 0.000 0.308 -188 G C 0.394 175.002 174.900 -0.485 0.000 1.377 -188 G CA 0.032 44.395 45.100 -1.227 0.000 1.176 -188 G HN 0.528 nan 8.290 nan 0.000 0.601 -187 V N -0.445 119.360 119.914 -0.181 0.000 3.307 -187 V HA 0.068 4.188 4.120 0.000 0.000 0.253 -187 V C 1.465 177.538 176.094 -0.035 0.000 1.149 -187 V CA 1.295 63.588 62.300 -0.010 0.000 1.112 -187 V CB 0.893 32.758 31.823 0.070 0.000 0.777 -187 V HN 0.434 nan 8.190 nan 0.000 0.464 -186 D N -0.020 120.346 120.400 -0.056 0.000 2.501 -186 D HA 0.087 4.727 4.640 0.000 0.000 0.224 -186 D C 0.655 176.934 176.300 -0.035 0.000 1.202 -186 D CA -0.154 53.828 54.000 -0.030 0.000 0.829 -186 D CB -0.039 40.756 40.800 -0.008 0.000 1.023 -186 D HN 0.596 nan 8.370 nan 0.000 0.499 -185 N N -0.360 118.301 118.700 -0.065 0.000 2.285 -185 N HA 0.184 4.924 4.740 0.000 0.000 0.262 -185 N C 1.301 176.801 175.510 -0.017 0.000 1.299 -185 N CA 0.253 53.283 53.050 -0.034 0.000 0.930 -185 N CB 0.237 38.706 38.487 -0.030 0.000 1.157 -185 N HN -0.138 nan 8.380 nan 0.000 0.532 -184 A N -0.772 122.049 122.820 0.001 0.000 1.898 -184 A HA 0.057 4.377 4.320 0.000 0.000 0.216 -184 A C 2.070 179.658 177.584 0.007 0.000 1.181 -184 A CA 1.728 53.769 52.037 0.007 0.000 0.620 -184 A CB -1.677 17.329 19.000 0.010 0.000 0.819 -184 A HN 0.803 nan 8.150 nan 0.000 0.442 -183 G N -0.352 108.449 108.800 0.000 0.000 2.446 -183 G HA2 -0.027 3.933 3.960 0.000 0.000 0.217 -183 G HA3 -0.027 3.933 3.960 0.000 0.000 0.217 -183 G C 1.765 176.649 174.900 -0.026 0.000 1.168 -183 G CA 1.553 46.651 45.100 -0.002 0.000 0.771 -183 G HN 0.786 nan 8.290 nan 0.000 0.551 -182 A N 0.856 123.634 122.820 -0.071 0.000 1.877 -182 A HA -0.026 4.294 4.320 0.000 0.000 0.216 -182 A C 2.296 179.846 177.584 -0.058 0.000 1.186 -182 A CA 2.026 53.999 52.037 -0.107 0.000 0.620 -182 A CB -0.430 18.509 19.000 -0.102 0.000 0.822 -182 A HN 0.367 nan 8.150 nan 0.000 0.443 -181 K N -0.394 119.992 120.400 -0.022 0.000 2.044 -181 K HA -0.197 4.123 4.320 0.000 0.000 0.210 -181 K C 2.317 178.935 176.600 0.029 0.000 1.049 -181 K CA 1.412 57.700 56.287 0.002 0.000 0.927 -181 K CB -0.384 32.123 32.500 0.011 0.000 0.713 -181 K HN 0.473 nan 8.250 nan 0.000 0.443 -180 A N 1.005 123.867 122.820 0.071 0.000 1.873 -180 A HA -0.080 4.240 4.320 0.000 0.000 0.215 -180 A C 2.441 180.127 177.584 0.169 0.000 1.186 -180 A CA 1.916 54.064 52.037 0.185 0.000 0.616 -180 A CB -1.119 18.028 19.000 0.244 0.000 0.823 -180 A HN 0.446 nan 8.150 nan 0.000 0.442 -179 G N -0.431 108.369 108.800 0.000 0.000 2.402 -179 G HA2 -0.112 3.848 3.960 0.000 0.000 0.216 -179 G HA3 -0.112 3.848 3.960 0.000 0.000 0.216 -179 G C 1.463 176.192 174.900 -0.285 0.000 1.162 -179 G CA 1.182 46.037 45.100 -0.409 0.000 0.777 -179 G HN 0.439 nan 8.290 nan 0.000 0.539 -178 L N 0.727 121.870 121.223 -0.134 0.000 2.156 -178 L HA 0.105 4.445 4.340 0.000 0.000 0.208 -178 L C 2.829 179.670 176.870 -0.049 0.000 1.095 -178 L CA 2.064 56.853 54.840 -0.085 0.000 0.770 -178 L CB -0.754 41.279 42.059 -0.043 0.000 0.914 -178 L HN 0.143 nan 8.230 nan 0.000 0.439 -177 T N -1.029 113.522 114.554 -0.006 0.000 2.777 -177 T HA -0.172 4.178 4.350 0.000 0.000 0.266 -177 T C 1.594 176.312 174.700 0.031 0.000 1.040 -177 T CA 1.604 63.720 62.100 0.025 0.000 1.141 -177 T CB -0.376 68.533 68.868 0.069 0.000 0.868 -177 T HN 0.370 nan 8.240 nan 0.000 0.444 -176 F N 1.643 121.534 119.950 -0.099 0.000 2.146 -176 F HA 0.005 4.532 4.527 0.000 0.000 0.298 -176 F C 1.918 177.646 175.800 -0.119 0.000 1.096 -176 F CA 0.741 58.682 58.000 -0.099 0.000 1.275 -176 F CB -0.401 38.453 39.000 -0.243 0.000 1.008 -176 F HN 0.062 nan 8.300 nan 0.000 0.480 -175 L N -0.247 120.917 121.223 -0.098 0.000 2.083 -175 L HA -0.124 4.216 4.340 0.000 0.000 0.209 -175 L C 2.011 178.819 176.870 -0.104 0.000 1.083 -175 L CA 1.561 56.336 54.840 -0.108 0.000 0.752 -175 L CB -0.822 41.194 42.059 -0.072 0.000 0.899 -175 L HN 0.049 nan 8.230 nan 0.000 0.433 -174 V N -0.221 119.640 119.914 -0.088 0.000 2.548 -174 V HA -0.194 3.926 4.120 0.000 0.000 0.249 -174 V C 2.124 178.163 176.094 -0.092 0.000 1.055 -174 V CA 1.671 63.928 62.300 -0.071 0.000 1.065 -174 V CB -0.682 31.113 31.823 -0.046 0.000 0.681 -174 V HN 0.449 nan 8.190 nan 0.000 0.462 -173 D N 0.218 120.540 120.400 -0.130 0.000 2.144 -173 D HA -0.118 4.522 4.640 0.000 0.000 0.199 -173 D C 2.123 178.338 176.300 -0.142 0.000 0.984 -173 D CA 1.082 55.000 54.000 -0.138 0.000 0.834 -173 D CB -0.219 40.492 40.800 -0.148 0.000 0.955 -173 D HN 0.332 nan 8.370 nan 0.000 0.465 -172 L N 0.386 121.491 121.223 -0.196 0.000 2.042 -172 L HA -0.160 4.180 4.340 0.000 0.000 0.210 -172 L C 2.448 179.302 176.870 -0.027 0.000 1.076 -172 L CA 0.839 55.655 54.840 -0.041 0.000 0.749 -172 L CB -0.334 41.713 42.059 -0.020 0.000 0.893 -172 L HN 0.054 nan 8.230 nan 0.000 0.432 -171 I N -0.468 120.067 120.570 -0.059 0.000 2.193 -171 I HA -0.258 3.912 4.170 0.000 0.000 0.240 -171 I C 2.511 178.578 176.117 -0.084 0.000 1.084 -171 I CA 1.247 62.509 61.300 -0.063 0.000 1.365 -171 I CB -0.386 37.578 38.000 -0.060 0.000 1.064 -171 I HN 0.165 nan 8.210 nan 0.000 0.410 -170 K N 1.074 121.425 120.400 -0.082 0.000 2.113 -170 K HA -0.195 4.125 4.320 0.000 0.000 0.208 -170 K C 1.250 177.782 176.600 -0.113 0.000 1.047 -170 K CA 1.846 58.085 56.287 -0.081 0.000 0.928 -170 K CB -0.384 32.078 32.500 -0.064 0.000 0.716 -170 K HN 0.459 nan 8.250 nan 0.000 0.446 -169 N N 0.427 119.032 118.700 -0.158 0.000 2.370 -169 N HA 0.037 4.777 4.740 0.000 0.000 0.198 -169 N C -0.654 174.569 175.510 -0.479 0.000 1.156 -169 N CA -0.039 52.839 53.050 -0.287 0.000 0.839 -169 N CB 0.349 38.681 38.487 -0.258 0.000 0.989 -169 N HN 0.040 nan 8.380 nan 0.000 0.468 -168 K N -0.261 119.972 120.400 -0.278 0.000 3.209 -168 K HA -0.233 4.087 4.320 0.000 0.000 0.289 -168 K C -0.191 176.284 176.600 -0.208 0.000 1.191 -168 K CA 0.477 56.642 56.287 -0.204 0.000 0.851 -168 K CB -1.363 31.040 32.500 -0.162 0.000 1.242 -168 K HN 0.523 nan 8.250 nan 0.000 0.480 -167 H N -0.766 118.297 119.070 -0.012 0.000 2.502 -167 H HA 0.147 4.703 4.556 0.000 0.000 0.283 -167 H C 0.995 176.334 175.328 0.018 0.000 1.015 -167 H CA 0.890 56.944 56.048 0.010 0.000 1.298 -167 H CB 0.209 29.981 29.762 0.018 0.000 1.411 -167 H HN 0.273 nan 8.280 nan 0.000 0.556 -166 M N 0.076 119.724 119.600 0.079 0.000 2.575 -166 M HA 0.229 4.709 4.480 0.000 0.000 0.284 -166 M C -0.495 175.789 176.300 -0.027 0.000 1.253 -166 M CA -0.728 54.588 55.300 0.026 0.000 0.861 -166 M CB 2.927 35.537 32.600 0.016 0.000 1.733 -166 M HN -0.130 nan 8.290 nan 0.000 0.462 -165 N N 0.546 119.218 118.700 -0.048 0.000 2.421 -165 N HA 0.443 5.183 4.740 0.000 0.000 0.285 -165 N C 0.355 175.816 175.510 -0.082 0.000 1.027 -165 N CA 0.147 53.162 53.050 -0.059 0.000 0.918 -165 N CB 2.079 40.537 38.487 -0.048 0.000 1.152 -165 N HN 0.837 nan 8.380 nan 0.000 0.485 -164 A N 3.474 126.251 122.820 -0.071 0.000 1.948 -164 A HA -0.190 4.130 4.320 0.000 0.000 0.220 -164 A C 1.433 178.973 177.584 -0.074 0.000 1.177 -164 A CA 1.666 53.659 52.037 -0.073 0.000 0.636 -164 A CB -0.280 18.685 19.000 -0.057 0.000 0.815 -164 A HN 0.745 nan 8.150 nan 0.000 0.449 -163 D N -0.246 120.117 120.400 -0.062 0.000 2.218 -163 D HA -0.017 4.623 4.640 0.000 0.000 0.204 -163 D C 0.552 176.814 176.300 -0.063 0.000 0.976 -163 D CA 0.997 54.965 54.000 -0.053 0.000 0.853 -163 D CB -0.559 40.217 40.800 -0.040 0.000 0.939 -163 D HN 0.353 nan 8.370 nan 0.000 0.481 -162 T N 1.985 116.486 114.554 -0.087 0.000 2.849 -162 T HA 0.155 4.505 4.350 0.000 0.000 0.289 -162 T C 0.100 174.731 174.700 -0.114 0.000 1.010 -162 T CA 0.145 62.182 62.100 -0.105 0.000 1.161 -162 T CB 0.433 69.213 68.868 -0.147 0.000 0.989 -162 T HN 0.235 nan 8.240 nan 0.000 0.523 -161 D N 1.112 121.463 120.400 -0.080 0.000 2.732 -161 D HA 0.146 4.786 4.640 0.000 0.000 0.292 -161 D C 0.839 177.114 176.300 -0.041 0.000 1.135 -161 D CA -1.058 52.911 54.000 -0.053 0.000 1.071 -161 D CB 0.135 40.933 40.800 -0.003 0.000 1.457 -161 D HN 0.328 nan 8.370 nan 0.000 0.547 -160 Y N 0.418 120.653 120.300 -0.108 0.000 2.102 -160 Y HA -0.272 4.278 4.550 0.000 0.000 0.280 -160 Y C 2.462 178.355 175.900 -0.013 0.000 1.178 -160 Y CA 3.465 61.514 58.100 -0.086 0.000 1.146 -160 Y CB -0.004 38.434 38.460 -0.036 0.000 0.968 -160 Y HN 0.465 nan 8.280 nan 0.000 0.504 -159 S N -0.971 114.771 115.700 0.070 0.000 2.458 -159 S HA -0.065 4.405 4.470 0.000 0.000 0.223 -159 S C 1.861 176.448 174.600 -0.022 0.000 1.019 -159 S CA 0.887 59.110 58.200 0.037 0.000 0.937 -159 S CB -0.751 62.516 63.200 0.112 0.000 0.788 -159 S HN 0.495 nan 8.310 nan 0.000 0.511 -158 I N 2.395 122.950 120.570 -0.024 0.000 2.202 -158 I HA -0.084 4.086 4.170 0.000 0.000 0.242 -158 I C 3.102 179.196 176.117 -0.038 0.000 1.091 -158 I CA 1.146 62.432 61.300 -0.024 0.000 1.368 -158 I CB -0.653 37.333 38.000 -0.023 0.000 1.058 -158 I HN 0.423 nan 8.210 nan 0.000 0.410 -157 A N 0.344 123.117 122.820 -0.079 0.000 1.865 -157 A HA -0.286 4.034 4.320 0.000 0.000 0.217 -157 A C 2.314 179.869 177.584 -0.048 0.000 1.191 -157 A CA 2.056 54.056 52.037 -0.062 0.000 0.623 -157 A CB -0.788 18.152 19.000 -0.100 0.000 0.826 -157 A HN 0.475 nan 8.150 nan 0.000 0.444 -156 E N -0.286 119.809 120.200 -0.176 0.000 2.033 -156 E HA -0.216 4.135 4.350 0.000 0.000 0.199 -156 E C 2.235 178.843 176.600 0.014 0.000 1.011 -156 E CA 1.368 57.694 56.400 -0.124 0.000 0.815 -156 E CB -0.308 29.260 29.700 -0.220 0.000 0.755 -156 E HN 0.532 nan 8.360 nan 0.000 0.451 -155 A N 1.215 124.034 122.820 -0.001 0.000 1.865 -155 A HA -0.207 4.113 4.320 0.000 0.000 0.217 -155 A C 2.439 180.041 177.584 0.029 0.000 1.191 -155 A CA 2.426 54.475 52.037 0.020 0.000 0.623 -155 A CB -1.087 17.921 19.000 0.013 0.000 0.826 -155 A HN 0.456 nan 8.150 nan 0.000 0.444 -154 A N -1.376 121.464 122.820 0.032 0.000 1.883 -154 A HA -0.124 4.196 4.320 0.000 0.000 0.217 -154 A C 2.119 179.734 177.584 0.052 0.000 1.186 -154 A CA 1.790 53.848 52.037 0.035 0.000 0.624 -154 A CB -0.836 18.189 19.000 0.042 0.000 0.822 -154 A HN 0.697 nan 8.150 nan 0.000 0.444 -153 F N 1.193 121.126 119.950 -0.029 0.000 2.126 -153 F HA -0.196 4.331 4.527 0.000 0.000 0.299 -153 F C 2.017 177.797 175.800 -0.033 0.000 1.096 -153 F CA 2.199 60.185 58.000 -0.024 0.000 1.255 -153 F CB -0.336 38.646 39.000 -0.029 0.000 0.997 -153 F HN 0.328 nan 8.300 nan 0.000 0.479 -152 N N -0.373 118.387 118.700 0.099 0.000 2.459 -152 N HA -0.092 4.648 4.740 0.000 0.000 0.181 -152 N C 1.016 176.488 175.510 -0.063 0.000 1.046 -152 N CA 0.391 53.460 53.050 0.033 0.000 0.904 -152 N CB -0.049 38.478 38.487 0.068 0.000 0.964 -152 N HN 0.323 nan 8.380 nan 0.000 0.444 -151 K N 0.304 120.660 120.400 -0.072 0.000 2.417 -151 K HA 0.105 4.425 4.320 0.000 0.000 0.196 -151 K C 0.667 177.198 176.600 -0.115 0.000 1.023 -151 K CA 0.010 56.255 56.287 -0.071 0.000 1.122 -151 K CB 0.694 33.171 32.500 -0.038 0.000 0.850 -151 K HN 0.135 nan 8.250 nan 0.000 0.521 -150 G N 2.344 111.018 108.800 -0.210 0.000 2.221 -150 G HA2 -0.288 3.672 3.960 0.000 0.000 0.265 -150 G HA3 -0.288 3.672 3.960 0.000 0.000 0.265 -150 G C 0.361 175.163 174.900 -0.165 0.000 1.041 -150 G CA 0.502 45.458 45.100 -0.241 0.000 0.807 -150 G HN 0.479 nan 8.290 nan 0.000 0.502 -149 E N -1.283 118.838 120.200 -0.132 0.000 2.307 -149 E HA 0.118 4.468 4.350 0.000 0.000 0.195 -149 E C 1.063 177.642 176.600 -0.036 0.000 0.975 -149 E CA 0.856 57.218 56.400 -0.062 0.000 0.878 -149 E CB 0.581 30.263 29.700 -0.031 0.000 0.845 -149 E HN 0.333 nan 8.360 nan 0.000 0.488 -148 T N -1.139 113.389 114.554 -0.043 0.000 2.876 -148 T HA 0.475 4.825 4.350 0.000 0.000 0.289 -148 T C 0.312 175.028 174.700 0.026 0.000 1.014 -148 T CA -0.206 61.919 62.100 0.041 0.000 0.986 -148 T CB 1.727 70.671 68.868 0.127 0.000 1.021 -148 T HN -0.001 nan 8.240 nan 0.000 0.458 -147 A N 4.330 127.208 122.820 0.096 0.000 2.016 -147 A HA 0.415 4.735 4.320 0.000 0.000 0.217 -147 A C 0.803 178.614 177.584 0.379 0.000 1.162 -147 A CA 0.767 52.885 52.037 0.135 0.000 0.662 -147 A CB -0.155 18.911 19.000 0.111 0.000 0.812 -147 A HN 0.732 nan 8.150 nan 0.000 0.450 -146 M N -1.744 118.103 119.600 0.413 0.000 2.484 -146 M HA 0.432 4.912 4.480 0.000 0.000 0.289 -146 M C -0.771 175.682 176.300 0.255 0.000 1.206 -146 M CA -0.186 55.333 55.300 0.363 0.000 0.892 -146 M CB 2.608 35.305 32.600 0.163 0.000 1.712 -146 M HN 0.084 nan 8.290 nan 0.000 0.462 -145 T N 1.604 116.148 114.554 -0.017 0.000 2.841 -145 T HA 0.796 5.146 4.350 0.000 0.000 0.296 -145 T C -1.848 172.810 174.700 -0.070 0.000 1.166 -145 T CA -0.532 61.538 62.100 -0.049 0.000 1.007 -145 T CB 1.470 70.165 68.868 -0.287 0.000 1.253 -145 T HN 0.575 nan 8.240 nan 0.000 0.511 -144 I N 3.619 124.209 120.570 0.033 0.000 2.410 -144 I HA 0.541 4.712 4.170 0.000 0.000 0.286 -144 I C -0.274 175.991 176.117 0.247 0.000 1.009 -144 I CA -0.680 60.650 61.300 0.051 0.000 1.111 -144 I CB 1.609 39.554 38.000 -0.090 0.000 1.262 -144 I HN 0.490 nan 8.210 nan 0.000 0.443 -143 N N 3.028 121.822 118.700 0.158 0.000 3.179 -143 N HA 0.563 5.303 4.740 0.000 0.000 0.250 -143 N C -0.785 174.635 175.510 -0.150 0.000 1.507 -143 N CA -0.341 52.829 53.050 0.199 0.000 0.883 -143 N CB 2.194 40.730 38.487 0.082 0.000 1.435 -143 N HN 0.607 nan 8.380 nan 0.000 0.532 -142 G N -0.052 108.304 108.800 -0.740 0.000 2.642 -142 G HA2 0.452 4.413 3.960 0.000 0.000 0.291 -142 G HA3 0.452 4.413 3.960 0.000 0.000 0.291 -142 G C -1.906 172.069 174.900 -1.542 0.000 1.345 -142 G CA -0.978 43.301 45.100 -1.368 0.000 1.043 -142 G HN 0.357 nan 8.290 nan 0.000 0.528 -141 P HA -0.098 nan 4.420 nan 0.000 0.215 -141 P C 1.439 177.978 177.300 -1.269 0.000 1.153 -141 P CA 1.821 63.765 63.100 -1.927 0.000 0.853 -141 P CB -0.043 30.926 31.700 -1.219 0.000 0.788 -140 W N -0.092 120.943 121.300 -0.441 0.000 2.364 -140 W HA -0.042 4.618 4.660 0.000 0.000 0.281 -140 W C 1.843 178.287 176.519 -0.124 0.000 1.219 -140 W CA 0.944 58.152 57.345 -0.228 0.000 1.220 -140 W CB -1.986 27.386 29.460 -0.147 0.000 1.127 -140 W HN -0.143 nan 8.180 nan 0.000 0.556 -139 A N -0.075 122.445 122.820 -0.500 0.000 2.167 -139 A HA 0.016 4.336 4.320 0.000 0.000 0.214 -139 A C 1.534 179.106 177.584 -0.020 0.000 1.151 -139 A CA 0.819 52.774 52.037 -0.136 0.000 0.735 -139 A CB -1.093 17.801 19.000 -0.176 0.000 0.802 -139 A HN 0.425 nan 8.150 nan 0.000 0.467 -138 W N -0.091 121.106 121.300 -0.173 0.000 2.436 -138 W HA -0.038 4.622 4.660 0.000 0.000 0.284 -138 W C 2.711 179.157 176.519 -0.123 0.000 1.225 -138 W CA 0.448 57.683 57.345 -0.183 0.000 1.271 -138 W CB -1.384 28.060 29.460 -0.026 0.000 1.114 -138 W HN 0.412 nan 8.180 nan 0.000 0.559 -137 S N 0.984 116.791 115.700 0.178 0.000 2.351 -137 S HA -0.205 4.265 4.470 0.000 0.000 0.220 -137 S C 1.741 176.381 174.600 0.067 0.000 1.035 -137 S CA 1.827 60.100 58.200 0.120 0.000 1.031 -137 S CB -0.471 62.782 63.200 0.088 0.000 0.928 -137 S HN 0.134 nan 8.310 nan 0.000 0.433 -136 N N 1.264 119.996 118.700 0.052 0.000 2.430 -136 N HA 0.001 4.742 4.740 0.000 0.000 0.186 -136 N C 1.578 177.092 175.510 0.006 0.000 1.032 -136 N CA 1.054 54.126 53.050 0.037 0.000 0.893 -136 N CB -0.464 38.057 38.487 0.056 0.000 0.957 -136 N HN 0.549 nan 8.380 nan 0.000 0.442 -135 I N 0.531 121.062 120.570 -0.065 0.000 2.339 -135 I HA -0.150 4.020 4.170 0.000 0.000 0.245 -135 I C 1.564 177.641 176.117 -0.065 0.000 1.096 -135 I CA 0.679 61.883 61.300 -0.161 0.000 1.408 -135 I CB -0.188 37.480 38.000 -0.552 0.000 1.092 -135 I HN -0.106 nan 8.210 nan 0.000 0.423 -134 D N 0.895 121.303 120.400 0.012 0.000 2.157 -134 D HA -0.204 4.436 4.640 0.000 0.000 0.191 -134 D C 2.166 178.517 176.300 0.085 0.000 1.004 -134 D CA 1.928 56.013 54.000 0.142 0.000 0.854 -134 D CB -0.497 40.393 40.800 0.151 0.000 0.936 -134 D HN 0.260 nan 8.370 nan 0.000 0.446 -133 T N -0.027 114.560 114.554 0.055 0.000 2.867 -133 T HA -0.117 4.233 4.350 0.000 0.000 0.268 -133 T C 1.968 176.688 174.700 0.032 0.000 1.057 -133 T CA 1.540 63.665 62.100 0.041 0.000 1.136 -133 T CB -0.182 68.707 68.868 0.035 0.000 0.874 -133 T HN 0.238 nan 8.240 nan 0.000 0.466 -132 S N 0.707 116.424 115.700 0.028 0.000 2.561 -132 S HA 0.036 4.507 4.470 0.000 0.000 0.225 -132 S C 0.946 175.556 174.600 0.016 0.000 0.977 -132 S CA 0.421 58.631 58.200 0.017 0.000 0.926 -132 S CB -0.409 62.798 63.200 0.011 0.000 0.769 -132 S HN 0.540 nan 8.310 nan 0.000 0.533 -131 K N -0.372 120.052 120.400 0.039 0.000 3.274 -131 K HA -0.117 4.203 4.320 0.000 0.000 0.300 -131 K C -0.555 176.065 176.600 0.034 0.000 1.230 -131 K CA 0.613 56.925 56.287 0.042 0.000 0.884 -131 K CB -2.384 30.128 32.500 0.020 0.000 1.242 -131 K HN 0.381 nan 8.250 nan 0.000 0.467 -130 V N 2.122 122.057 119.914 0.036 0.000 2.529 -130 V HA -0.029 4.092 4.120 0.000 0.000 0.292 -130 V C 0.802 176.957 176.094 0.103 0.000 1.028 -130 V CA -0.196 62.111 62.300 0.011 0.000 1.074 -130 V CB 0.921 32.703 31.823 -0.068 0.000 0.958 -130 V HN 0.226 nan 8.190 nan 0.000 0.481 -129 N N 5.698 124.412 118.700 0.025 0.000 2.400 -129 N HA 0.079 4.819 4.740 0.000 0.000 0.278 -129 N C -0.784 174.708 175.510 -0.029 0.000 1.247 -129 N CA -0.049 52.994 53.050 -0.011 0.000 0.970 -129 N CB -0.174 38.278 38.487 -0.059 0.000 1.312 -129 N HN 0.585 nan 8.380 nan 0.000 0.488 -128 Y N 0.683 120.893 120.300 -0.149 0.000 2.446 -128 Y HA 0.847 5.397 4.550 0.000 0.000 0.338 -128 Y C 0.414 176.092 175.900 -0.370 0.000 1.055 -128 Y CA -1.556 56.419 58.100 -0.209 0.000 1.101 -128 Y CB 0.795 39.246 38.460 -0.014 0.000 1.221 -128 Y HN 0.264 nan 8.280 nan 0.000 0.460 -127 G N 1.038 109.435 108.800 -0.671 0.000 2.489 -127 G HA2 0.597 4.557 3.960 0.000 0.000 0.327 -127 G HA3 0.597 4.557 3.960 0.000 0.000 0.327 -127 G C -1.893 172.926 174.900 -0.136 0.000 1.189 -127 G CA -1.161 43.604 45.100 -0.557 0.000 0.962 -127 G HN 0.679 nan 8.290 nan 0.000 0.486 -126 V N 0.362 120.242 119.914 -0.057 0.000 2.443 -126 V HA 0.681 4.801 4.120 0.000 0.000 0.293 -126 V C 0.150 176.283 176.094 0.065 0.000 1.021 -126 V CA -0.463 61.847 62.300 0.016 0.000 0.848 -126 V CB 1.227 32.944 31.823 -0.177 0.000 0.998 -126 V HN 0.907 nan 8.190 nan 0.000 0.424 -125 T N 2.868 117.482 114.554 0.100 0.000 2.804 -125 T HA 0.553 4.903 4.350 0.000 0.000 0.290 -125 T C -0.854 173.837 174.700 -0.015 0.000 1.099 -125 T CA -0.351 61.763 62.100 0.023 0.000 1.011 -125 T CB 2.069 70.907 68.868 -0.050 0.000 1.291 -125 T HN 0.456 nan 8.240 nan 0.000 0.523 -124 V N 3.191 123.077 119.914 -0.047 0.000 2.740 -124 V HA 0.378 4.498 4.120 0.000 0.000 0.303 -124 V C 0.222 176.271 176.094 -0.075 0.000 1.054 -124 V CA -0.182 62.091 62.300 -0.045 0.000 1.106 -124 V CB 0.056 31.849 31.823 -0.049 0.000 0.957 -124 V HN 0.726 nan 8.190 nan 0.000 0.486 -123 L N 9.206 130.398 121.223 -0.052 0.000 2.506 -123 L HA 0.227 4.567 4.340 0.000 0.000 0.281 -123 L C -1.775 175.032 176.870 -0.104 0.000 1.228 -123 L CA -1.110 53.685 54.840 -0.075 0.000 0.850 -123 L CB 0.155 42.218 42.059 0.007 0.000 1.110 -123 L HN 0.569 nan 8.230 nan 0.000 0.496 -122 P HA 0.079 nan 4.420 nan 0.000 0.274 -122 P C -0.527 176.774 177.300 0.001 0.000 1.231 -122 P CA -0.494 62.449 63.100 -0.262 0.000 0.790 -122 P CB 0.570 31.884 31.700 -0.643 0.000 0.951 -121 T N -0.493 114.092 114.554 0.052 0.000 2.860 -121 T HA 0.375 4.725 4.350 0.000 0.000 0.299 -121 T C -0.473 174.437 174.700 0.349 0.000 1.045 -121 T CA -0.247 61.947 62.100 0.156 0.000 1.071 -121 T CB 0.112 69.007 68.868 0.045 0.000 0.985 -121 T HN 0.289 nan 8.240 nan 0.000 0.537 -120 F N 1.694 121.685 119.950 0.068 0.000 2.518 -120 F HA 0.464 4.991 4.527 0.000 0.000 0.323 -120 F C 0.526 176.257 175.800 -0.113 0.000 1.129 -120 F CA -1.494 56.463 58.000 -0.072 0.000 0.920 -120 F CB 1.269 40.121 39.000 -0.247 0.000 1.160 -120 F HN 0.876 nan 8.300 nan 0.000 0.440 -119 K N 4.577 124.517 120.400 -0.766 0.000 3.071 -119 K HA -0.219 4.101 4.320 0.000 0.000 0.262 -119 K C 0.953 177.381 176.600 -0.287 0.000 0.977 -119 K CA 0.868 56.791 56.287 -0.608 0.000 0.721 -119 K CB -1.705 30.296 32.500 -0.832 0.000 1.293 -119 K HN 1.402 nan 8.250 nan 0.000 0.475 -118 G N -0.576 108.121 108.800 -0.170 0.000 2.189 -118 G HA2 -0.330 3.630 3.960 0.000 0.000 0.267 -118 G HA3 -0.330 3.630 3.960 0.000 0.000 0.267 -118 G C -0.038 174.824 174.900 -0.064 0.000 0.975 -118 G CA 0.656 45.699 45.100 -0.095 0.000 0.644 -118 G HN 0.353 nan 8.290 nan 0.000 0.537 -117 Q N 0.605 120.368 119.800 -0.062 0.000 2.230 -117 Q HA 0.451 4.791 4.340 0.000 0.000 0.253 -117 Q C -2.481 173.533 176.000 0.022 0.000 0.919 -117 Q CA -1.978 53.808 55.803 -0.028 0.000 0.908 -117 Q CB 1.692 30.406 28.738 -0.040 0.000 1.245 -117 Q HN 0.205 nan 8.270 nan 0.000 0.437 -116 P HA 0.049 nan 4.420 nan 0.000 0.269 -116 P C -0.547 176.778 177.300 0.041 0.000 1.209 -116 P CA 0.106 63.222 63.100 0.027 0.000 0.776 -116 P CB 0.602 32.304 31.700 0.003 0.000 0.876 -115 S N 1.991 117.738 115.700 0.078 0.000 2.585 -115 S HA 0.200 4.670 4.470 0.000 0.000 0.273 -115 S C 0.302 174.905 174.600 0.005 0.000 1.339 -115 S CA -0.341 57.895 58.200 0.060 0.000 1.028 -115 S CB 0.183 63.479 63.200 0.159 0.000 0.906 -115 S HN 0.309 nan 8.310 nan 0.000 0.528 -114 K N 2.373 122.741 120.400 -0.054 0.000 2.762 -114 K HA 0.257 4.577 4.320 0.000 0.000 0.180 -114 K C -2.724 173.866 176.600 -0.016 0.000 1.067 -114 K CA -1.704 54.552 56.287 -0.052 0.000 0.973 -114 K CB 1.067 33.500 32.500 -0.113 0.000 1.290 -114 K HN 0.415 nan 8.250 nan 0.000 0.604 -113 P HA -0.047 nan 4.420 nan 0.000 0.267 -113 P C -0.444 177.000 177.300 0.240 0.000 1.200 -113 P CA -0.111 63.053 63.100 0.107 0.000 0.772 -113 P CB 0.489 32.219 31.700 0.050 0.000 0.855 -112 F N 1.681 121.797 119.950 0.277 0.000 2.427 -112 F HA 0.123 4.650 4.527 0.000 0.000 0.352 -112 F C 0.568 176.521 175.800 0.256 0.000 1.100 -112 F CA -0.544 57.631 58.000 0.292 0.000 1.191 -112 F CB 0.565 39.758 39.000 0.322 0.000 1.128 -112 F HN -0.014 nan 8.300 nan 0.000 0.533 -111 V N 3.681 123.909 119.914 0.524 0.000 2.481 -111 V HA 0.643 4.763 4.120 0.000 0.000 0.286 -111 V C 0.447 176.786 176.094 0.408 0.000 1.042 -111 V CA -0.691 61.840 62.300 0.385 0.000 0.928 -111 V CB 1.260 33.256 31.823 0.289 0.000 0.986 -111 V HN 0.863 nan 8.190 nan 0.000 0.462 -110 G N 2.903 111.916 108.800 0.355 0.000 2.415 -110 G HA2 0.572 4.532 3.960 0.000 0.000 0.327 -110 G HA3 0.572 4.532 3.960 0.000 0.000 0.327 -110 G C -1.005 174.083 174.900 0.312 0.000 1.182 -110 G CA -0.478 44.807 45.100 0.310 0.000 0.924 -110 G HN 0.540 nan 8.290 nan 0.000 0.470 -109 V N 3.482 123.683 119.914 0.477 0.000 2.368 -109 V HA 0.171 4.291 4.120 0.000 0.000 0.266 -109 V C 0.327 176.498 176.094 0.129 0.000 1.045 -109 V CA -0.736 61.676 62.300 0.187 0.000 0.899 -109 V CB 0.972 32.764 31.823 -0.052 0.000 1.006 -109 V HN 0.676 nan 8.190 nan 0.000 0.470 -108 L N 6.413 127.671 121.223 0.058 0.000 2.462 -108 L HA 0.362 4.702 4.340 0.000 0.000 0.272 -108 L C 0.319 177.218 176.870 0.049 0.000 1.166 -108 L CA 1.205 56.075 54.840 0.049 0.000 0.880 -108 L CB 0.397 42.489 42.059 0.055 0.000 1.142 -108 L HN 0.754 nan 8.230 nan 0.000 0.473 -107 S N 3.386 119.100 115.700 0.023 0.000 2.595 -107 S HA 0.914 5.384 4.470 0.000 0.000 0.281 -107 S C -0.871 173.657 174.600 -0.120 0.000 1.117 -107 S CA -0.404 57.706 58.200 -0.150 0.000 0.873 -107 S CB 1.817 64.691 63.200 -0.544 0.000 1.108 -107 S HN 0.918 nan 8.310 nan 0.000 0.477 -106 A N 1.001 123.692 122.820 -0.215 0.000 2.311 -106 A HA 0.809 5.129 4.320 0.000 0.000 0.306 -106 A C 0.124 177.704 177.584 -0.006 0.000 1.189 -106 A CA -0.576 51.208 52.037 -0.422 0.000 0.791 -106 A CB 0.614 19.160 19.000 -0.758 0.000 1.172 -106 A HN 0.953 nan 8.150 nan 0.000 0.481 -105 G N 0.941 109.821 108.800 0.133 0.000 2.454 -105 G HA2 0.608 4.569 3.960 0.000 0.000 0.329 -105 G HA3 0.608 4.569 3.960 0.000 0.000 0.329 -105 G C -0.764 174.156 174.900 0.032 0.000 1.177 -105 G CA -0.620 44.624 45.100 0.240 0.000 0.951 -105 G HN 0.666 nan 8.290 nan 0.000 0.485 -104 I N 1.541 122.154 120.570 0.072 0.000 2.378 -104 I HA 0.156 4.326 4.170 0.000 0.000 0.291 -104 I C -0.006 176.130 176.117 0.031 0.000 0.992 -104 I CA -0.944 60.374 61.300 0.030 0.000 1.154 -104 I CB 1.700 39.743 38.000 0.072 0.000 1.315 -104 I HN 0.345 nan 8.210 nan 0.000 0.448 -103 N N 4.516 123.218 118.700 0.003 0.000 2.411 -103 N HA -0.004 4.736 4.740 0.000 0.000 0.261 -103 N C 0.920 176.443 175.510 0.022 0.000 1.248 -103 N CA 0.342 53.421 53.050 0.048 0.000 0.885 -103 N CB 1.467 39.957 38.487 0.005 0.000 1.062 -103 N HN 0.816 nan 8.380 nan 0.000 0.471 -102 A N 4.006 126.843 122.820 0.028 0.000 2.024 -102 A HA -0.093 4.227 4.320 0.000 0.000 0.220 -102 A C 1.765 179.344 177.584 -0.008 0.000 1.164 -102 A CA 1.852 53.898 52.037 0.014 0.000 0.643 -102 A CB -0.329 18.679 19.000 0.014 0.000 0.806 -102 A HN 0.746 nan 8.150 nan 0.000 0.451 -101 A N -0.767 122.035 122.820 -0.031 0.000 2.275 -101 A HA 0.395 4.715 4.320 0.000 0.000 0.212 -101 A C 1.234 178.795 177.584 -0.038 0.000 1.201 -101 A CA 0.643 52.656 52.037 -0.040 0.000 0.843 -101 A CB -0.441 18.521 19.000 -0.064 0.000 0.873 -101 A HN 0.452 nan 8.150 nan 0.000 0.492 -100 S N 1.353 117.033 115.700 -0.034 0.000 2.531 -100 S HA 0.301 4.771 4.470 0.000 0.000 0.279 -100 S C -1.527 173.061 174.600 -0.020 0.000 1.305 -100 S CA -0.987 57.192 58.200 -0.036 0.000 1.058 -100 S CB 0.726 63.902 63.200 -0.040 0.000 0.899 -100 S HN 0.283 nan 8.310 nan 0.000 0.493 -99 P HA 0.207 nan 4.420 nan 0.000 0.255 -99 P C -0.427 176.872 177.300 -0.001 0.000 1.357 -99 P CA 0.075 63.169 63.100 -0.009 0.000 0.839 -99 P CB -0.099 31.596 31.700 -0.010 0.000 1.356 -98 N N 0.084 118.781 118.700 -0.005 0.000 2.433 -98 N HA 0.115 4.855 4.740 0.000 0.000 0.270 -98 N C 1.041 176.557 175.510 0.011 0.000 1.354 -98 N CA -0.245 52.808 53.050 0.004 0.000 0.889 -98 N CB 0.504 38.985 38.487 -0.010 0.000 1.285 -98 N HN 0.136 nan 8.380 nan 0.000 0.503 -97 K N 0.728 121.138 120.400 0.016 0.000 2.152 -97 K HA -0.088 4.232 4.320 0.000 0.000 0.206 -97 K C 1.229 177.856 176.600 0.044 0.000 1.048 -97 K CA 0.971 57.275 56.287 0.029 0.000 0.933 -97 K CB 0.316 32.835 32.500 0.032 0.000 0.721 -97 K HN 0.221 nan 8.250 nan 0.000 0.447 -96 E N 0.862 121.091 120.200 0.048 0.000 2.107 -96 E HA -0.111 4.239 4.350 0.000 0.000 0.191 -96 E C 2.159 178.813 176.600 0.090 0.000 0.982 -96 E CA 0.760 57.198 56.400 0.064 0.000 0.809 -96 E CB -0.064 29.671 29.700 0.059 0.000 0.756 -96 E HN 0.303 nan 8.360 nan 0.000 0.459 -95 L N 0.589 121.870 121.223 0.097 0.000 2.046 -95 L HA -0.167 4.173 4.340 0.000 0.000 0.208 -95 L C 2.632 179.536 176.870 0.057 0.000 1.077 -95 L CA 1.128 56.061 54.840 0.155 0.000 0.747 -95 L CB -0.604 41.549 42.059 0.157 0.000 0.896 -95 L HN 0.058 nan 8.230 nan 0.000 0.432 -94 A N 0.127 122.949 122.820 0.003 0.000 1.877 -94 A HA -0.256 4.064 4.320 0.000 0.000 0.216 -94 A C 2.439 180.032 177.584 0.016 0.000 1.186 -94 A CA 1.981 54.004 52.037 -0.023 0.000 0.620 -94 A CB -0.474 18.519 19.000 -0.012 0.000 0.822 -94 A HN 0.319 nan 8.150 nan 0.000 0.443 -93 K N -0.431 119.991 120.400 0.037 0.000 2.057 -93 K HA -0.200 4.120 4.320 0.000 0.000 0.207 -93 K C 2.092 178.675 176.600 -0.029 0.000 1.049 -93 K CA 1.717 58.008 56.287 0.007 0.000 0.931 -93 K CB -0.157 32.381 32.500 0.063 0.000 0.714 -93 K HN 0.648 nan 8.250 nan 0.000 0.440 -92 E N -0.435 119.814 120.200 0.081 0.000 2.107 -92 E HA -0.181 4.170 4.350 0.000 0.000 0.191 -92 E C 1.864 178.601 176.600 0.228 0.000 0.982 -92 E CA 0.761 57.270 56.400 0.181 0.000 0.809 -92 E CB -0.148 29.741 29.700 0.316 0.000 0.756 -92 E HN 0.343 nan 8.360 nan 0.000 0.459 -91 F N 1.074 120.954 119.950 -0.118 0.000 2.075 -91 F HA -0.175 4.352 4.527 0.000 0.000 0.297 -91 F C 1.895 177.621 175.800 -0.123 0.000 1.113 -91 F CA 1.413 59.188 58.000 -0.375 0.000 1.218 -91 F CB -0.083 38.411 39.000 -0.844 0.000 0.984 -91 F HN -0.017 nan 8.300 nan 0.000 0.472 -90 L N -0.097 121.034 121.223 -0.154 0.000 2.109 -90 L HA -0.148 4.192 4.340 0.000 0.000 0.207 -90 L C 2.368 179.021 176.870 -0.363 0.000 1.086 -90 L CA 1.470 56.114 54.840 -0.326 0.000 0.760 -90 L CB -0.627 41.151 42.059 -0.469 0.000 0.910 -90 L HN 0.196 nan 8.230 nan 0.000 0.437 -89 E N -0.138 119.840 120.200 -0.370 0.000 2.051 -89 E HA -0.099 4.251 4.350 0.000 0.000 0.189 -89 E C 1.442 178.014 176.600 -0.046 0.000 0.979 -89 E CA 0.853 57.034 56.400 -0.365 0.000 0.803 -89 E CB 0.109 29.443 29.700 -0.609 0.000 0.761 -89 E HN 0.467 nan 8.360 nan 0.000 0.451 -88 N N -0.921 117.769 118.700 -0.017 0.000 2.325 -88 N HA 0.021 4.761 4.740 0.000 0.000 0.182 -88 N C 0.634 175.993 175.510 -0.251 0.000 1.088 -88 N CA 0.603 53.620 53.050 -0.055 0.000 0.879 -88 N CB 0.393 38.870 38.487 -0.017 0.000 0.983 -88 N HN 0.194 nan 8.380 nan 0.000 0.471 -87 Y N -0.280 119.919 120.300 -0.167 0.000 2.697 -87 Y HA 0.232 4.782 4.550 0.000 0.000 0.268 -87 Y C 1.842 177.557 175.900 -0.307 0.000 1.092 -87 Y CA -0.341 57.624 58.100 -0.225 0.000 1.304 -87 Y CB -0.491 37.813 38.460 -0.259 0.000 1.446 -87 Y HN -0.157 nan 8.280 nan 0.000 0.491 -86 L N 0.534 121.554 121.223 -0.339 0.000 1.988 -86 L HA -0.024 4.316 4.340 0.000 0.000 0.207 -86 L C 0.927 177.744 176.870 -0.088 0.000 1.071 -86 L CA 1.788 56.484 54.840 -0.240 0.000 0.744 -86 L CB -0.765 41.138 42.059 -0.260 0.000 0.893 -86 L HN 0.153 nan 8.230 nan 0.000 0.433 -85 L N 1.276 122.481 121.223 -0.030 0.000 2.697 -85 L HA 0.113 4.453 4.340 0.000 0.000 0.239 -85 L C -0.110 176.777 176.870 0.029 0.000 1.430 -85 L CA 0.105 54.983 54.840 0.063 0.000 1.193 -85 L CB -1.661 40.549 42.059 0.252 0.000 1.516 -85 L HN 0.458 nan 8.230 nan 0.000 0.439 -84 T N -6.418 108.107 114.554 -0.050 0.000 2.900 -84 T HA 0.256 4.606 4.350 0.000 0.000 0.303 -84 T C 0.568 175.166 174.700 -0.170 0.000 1.142 -84 T CA -0.927 61.122 62.100 -0.086 0.000 1.007 -84 T CB 2.029 70.836 68.868 -0.101 0.000 1.156 -84 T HN 0.002 nan 8.240 nan 0.000 0.490 -83 D N 0.997 121.279 120.400 -0.197 0.000 2.106 -83 D HA -0.167 4.473 4.640 0.000 0.000 0.191 -83 D C 1.645 177.692 176.300 -0.422 0.000 0.997 -83 D CA 1.791 55.551 54.000 -0.400 0.000 0.834 -83 D CB -0.150 40.517 40.800 -0.221 0.000 0.956 -83 D HN 0.870 nan 8.370 nan 0.000 0.448 -82 E N 0.088 120.153 120.200 -0.225 0.000 2.086 -82 E HA -0.191 4.160 4.350 0.000 0.000 0.200 -82 E C 2.134 178.648 176.600 -0.144 0.000 1.012 -82 E CA 1.618 57.925 56.400 -0.155 0.000 0.812 -82 E CB -0.285 29.355 29.700 -0.100 0.000 0.743 -82 E HN 0.330 nan 8.360 nan 0.000 0.453 -81 G N 0.169 108.884 108.800 -0.141 0.000 2.396 -81 G HA2 -0.165 3.795 3.960 0.000 0.000 0.214 -81 G HA3 -0.165 3.795 3.960 0.000 0.000 0.214 -81 G C 1.520 176.353 174.900 -0.110 0.000 1.166 -81 G CA 0.353 45.392 45.100 -0.100 0.000 0.793 -81 G HN 0.156 nan 8.290 nan 0.000 0.533 -80 L N 0.144 121.261 121.223 -0.178 0.000 2.109 -80 L HA 0.013 4.353 4.340 0.000 0.000 0.207 -80 L C 2.723 179.524 176.870 -0.116 0.000 1.086 -80 L CA 1.301 56.069 54.840 -0.119 0.000 0.760 -80 L CB -0.359 41.655 42.059 -0.075 0.000 0.910 -80 L HN 0.339 nan 8.230 nan 0.000 0.437 -79 E N 0.691 120.683 120.200 -0.346 0.000 2.110 -79 E HA -0.246 4.104 4.350 0.000 0.000 0.193 -79 E C 2.203 178.792 176.600 -0.018 0.000 0.988 -79 E CA 1.178 57.486 56.400 -0.154 0.000 0.804 -79 E CB 0.055 29.599 29.700 -0.260 0.000 0.745 -79 E HN 0.448 nan 8.360 nan 0.000 0.458 -78 A N 0.447 123.241 122.820 -0.045 0.000 1.908 -78 A HA -0.146 4.174 4.320 0.000 0.000 0.218 -78 A C 2.346 179.933 177.584 0.006 0.000 1.181 -78 A CA 1.588 53.621 52.037 -0.006 0.000 0.627 -78 A CB -0.506 18.494 19.000 0.000 0.000 0.818 -78 A HN 0.234 nan 8.150 nan 0.000 0.445 -77 V N 0.183 120.099 119.914 0.003 0.000 2.488 -77 V HA -0.163 3.958 4.120 0.000 0.000 0.246 -77 V C 2.280 178.391 176.094 0.028 0.000 1.046 -77 V CA 1.987 64.287 62.300 -0.000 0.000 1.053 -77 V CB -1.052 30.762 31.823 -0.015 0.000 0.679 -77 V HN 0.665 nan 8.190 nan 0.000 0.458 -76 N N 0.476 119.224 118.700 0.081 0.000 2.223 -76 N HA -0.143 4.597 4.740 0.000 0.000 0.185 -76 N C 1.695 177.266 175.510 0.102 0.000 1.016 -76 N CA 1.181 54.305 53.050 0.123 0.000 0.863 -76 N CB -0.103 38.530 38.487 0.243 0.000 0.983 -76 N HN 0.388 nan 8.380 nan 0.000 0.429 -75 K N -0.647 119.804 120.400 0.085 0.000 2.459 -75 K HA -0.038 4.282 4.320 0.000 0.000 0.193 -75 K C 0.552 177.177 176.600 0.040 0.000 1.030 -75 K CA 0.432 56.763 56.287 0.073 0.000 1.026 -75 K CB 0.245 32.784 32.500 0.066 0.000 0.809 -75 K HN 0.268 nan 8.250 nan 0.000 0.504 -74 D N 0.783 121.192 120.400 0.015 0.000 2.355 -74 D HA 0.004 4.644 4.640 0.000 0.000 0.233 -74 D C -0.169 176.122 176.300 -0.015 0.000 0.997 -74 D CA 1.065 55.049 54.000 -0.027 0.000 0.920 -74 D CB 0.603 41.354 40.800 -0.080 0.000 1.063 -74 D HN -0.190 nan 8.370 nan 0.000 0.465 -73 K N 0.712 121.109 120.400 -0.005 0.000 2.507 -73 K HA 0.410 4.730 4.320 0.000 0.000 0.251 -73 K C -2.721 173.897 176.600 0.029 0.000 0.943 -73 K CA -2.036 54.268 56.287 0.028 0.000 0.794 -73 K CB 1.989 34.515 32.500 0.044 0.000 1.188 -73 K HN -0.032 nan 8.250 nan 0.000 0.428 -72 P HA 0.091 nan 4.420 nan 0.000 0.265 -72 P C 0.582 177.833 177.300 -0.082 0.000 1.193 -72 P CA -0.033 63.052 63.100 -0.026 0.000 0.765 -72 P CB 0.548 32.211 31.700 -0.062 0.000 0.823 -71 L N 1.795 123.008 121.223 -0.017 0.000 2.395 -71 L HA 0.148 4.488 4.340 0.000 0.000 0.218 -71 L C 1.495 178.348 176.870 -0.027 0.000 1.130 -71 L CA 1.041 55.887 54.840 0.011 0.000 0.826 -71 L CB -0.869 41.227 42.059 0.061 0.000 0.941 -71 L HN 0.741 nan 8.230 nan 0.000 0.451 -70 G N -0.169 108.557 108.800 -0.123 0.000 2.508 -70 G HA2 -0.160 3.800 3.960 0.000 0.000 0.220 -70 G HA3 -0.160 3.800 3.960 0.000 0.000 0.220 -70 G C -0.270 174.634 174.900 0.007 0.000 1.287 -70 G CA -0.425 44.621 45.100 -0.090 0.000 0.916 -70 G HN 0.356 nan 8.290 nan 0.000 0.574 -69 A N 0.410 123.253 122.820 0.038 0.000 2.376 -69 A HA 0.677 4.997 4.320 0.000 0.000 0.298 -69 A C 1.058 178.676 177.584 0.057 0.000 1.271 -69 A CA 0.621 52.684 52.037 0.044 0.000 0.926 -69 A CB -0.440 18.587 19.000 0.046 0.000 1.141 -69 A HN 2.311 nan 8.150 nan 0.000 0.539 -68 V N 0.591 120.546 119.914 0.068 0.000 3.096 -68 V HA 0.482 4.602 4.120 0.000 0.000 0.306 -68 V C 1.193 177.371 176.094 0.141 0.000 1.088 -68 V CA 0.360 62.724 62.300 0.107 0.000 1.129 -68 V CB 0.681 32.606 31.823 0.171 0.000 1.014 -68 V HN 1.067 nan 8.190 nan 0.000 0.486 -67 A N 2.846 125.721 122.820 0.091 0.000 2.123 -67 A HA 0.295 4.615 4.320 0.000 0.000 0.214 -67 A C 1.110 178.730 177.584 0.060 0.000 1.152 -67 A CA 0.332 52.415 52.037 0.077 0.000 0.728 -67 A CB -0.407 18.505 19.000 -0.148 0.000 0.814 -67 A HN 1.003 nan 8.150 nan 0.000 0.464 -66 L N 0.922 122.173 121.223 0.046 0.000 2.342 -66 L HA 0.190 4.530 4.340 0.000 0.000 0.285 -66 L C 1.143 178.001 176.870 -0.019 0.000 1.095 -66 L CA 0.052 54.871 54.840 -0.036 0.000 0.843 -66 L CB 0.205 42.281 42.059 0.028 0.000 1.201 -66 L HN 0.228 nan 8.230 nan 0.000 0.445 -65 K N 1.524 121.769 120.400 -0.258 0.000 2.077 -65 K HA -0.238 4.082 4.320 0.000 0.000 0.213 -65 K C 1.927 178.502 176.600 -0.042 0.000 1.051 -65 K CA 2.085 58.178 56.287 -0.322 0.000 0.929 -65 K CB -0.137 32.081 32.500 -0.471 0.000 0.715 -65 K HN 0.914 nan 8.250 nan 0.000 0.451 -64 S N -0.088 115.602 115.700 -0.018 0.000 2.387 -64 S HA -0.163 4.307 4.470 0.000 0.000 0.226 -64 S C 2.031 176.714 174.600 0.138 0.000 1.026 -64 S CA 0.741 58.967 58.200 0.042 0.000 0.972 -64 S CB -0.502 62.708 63.200 0.018 0.000 0.814 -64 S HN 0.336 nan 8.310 nan 0.000 0.477 -63 Y N 2.522 122.825 120.300 0.005 0.000 2.286 -63 Y HA 0.127 4.677 4.550 0.000 0.000 0.293 -63 Y C 2.441 178.377 175.900 0.060 0.000 1.124 -63 Y CA 1.307 59.424 58.100 0.028 0.000 1.178 -63 Y CB -0.708 37.765 38.460 0.023 0.000 1.010 -63 Y HN 0.340 nan 8.280 nan 0.000 0.536 -62 E N 0.884 121.128 120.200 0.072 0.000 2.118 -62 E HA -0.226 4.124 4.350 0.000 0.000 0.195 -62 E C 1.766 178.376 176.600 0.017 0.000 0.992 -62 E CA 1.946 58.367 56.400 0.035 0.000 0.804 -62 E CB -0.252 29.591 29.700 0.237 0.000 0.741 -62 E HN 0.637 nan 8.360 nan 0.000 0.458 -61 E N -0.028 120.206 120.200 0.057 0.000 2.171 -61 E HA -0.212 4.139 4.350 0.000 0.000 0.197 -61 E C 1.926 178.527 176.600 0.002 0.000 0.997 -61 E CA 1.284 57.710 56.400 0.043 0.000 0.810 -61 E CB -0.057 29.674 29.700 0.052 0.000 0.738 -61 E HN 0.332 nan 8.360 nan 0.000 0.467 -60 E N 0.518 120.697 120.200 -0.035 0.000 2.060 -60 E HA -0.059 4.291 4.350 0.000 0.000 0.189 -60 E C 2.310 178.848 176.600 -0.104 0.000 0.974 -60 E CA 0.552 56.919 56.400 -0.054 0.000 0.808 -60 E CB -0.122 29.566 29.700 -0.019 0.000 0.768 -60 E HN 0.315 nan 8.360 nan 0.000 0.453 -59 L N 0.814 121.911 121.223 -0.211 0.000 2.201 -59 L HA -0.071 4.269 4.340 0.000 0.000 0.212 -59 L C 2.506 179.341 176.870 -0.059 0.000 1.105 -59 L CA 0.810 55.551 54.840 -0.164 0.000 0.775 -59 L CB -0.598 41.306 42.059 -0.258 0.000 0.913 -59 L HN 0.039 nan 8.230 nan 0.000 0.440 -58 A N -0.127 122.670 122.820 -0.040 0.000 2.024 -58 A HA -0.182 4.138 4.320 0.000 0.000 0.220 -58 A C 2.039 179.619 177.584 -0.007 0.000 1.164 -58 A CA 1.367 53.400 52.037 -0.007 0.000 0.643 -58 A CB -0.263 18.742 19.000 0.009 0.000 0.806 -58 A HN 0.184 nan 8.150 nan 0.000 0.451 -57 K N 0.743 121.134 120.400 -0.015 0.000 2.555 -57 K HA -0.016 4.304 4.320 0.000 0.000 0.193 -57 K C -0.148 176.438 176.600 -0.024 0.000 1.032 -57 K CA 0.156 56.434 56.287 -0.016 0.000 1.004 -57 K CB -0.370 32.121 32.500 -0.014 0.000 0.804 -57 K HN 0.511 nan 8.250 nan 0.000 0.496 -56 D N 0.844 121.232 120.400 -0.022 0.000 2.274 -56 D HA 0.118 4.759 4.640 0.000 0.000 0.239 -56 D C -1.872 174.395 176.300 -0.054 0.000 1.104 -56 D CA -2.469 51.508 54.000 -0.038 0.000 0.840 -56 D CB 1.796 42.590 40.800 -0.011 0.000 1.100 -56 D HN -0.197 nan 8.370 nan 0.000 0.477 -55 P HA -0.133 nan 4.420 nan 0.000 0.216 -55 P C 1.123 178.352 177.300 -0.117 0.000 1.150 -55 P CA 1.230 64.272 63.100 -0.097 0.000 0.843 -55 P CB 0.304 31.929 31.700 -0.126 0.000 0.787 -54 R N -0.930 119.439 120.500 -0.217 0.000 2.075 -54 R HA -0.050 4.290 4.340 0.000 0.000 0.232 -54 R C 2.204 178.525 176.300 0.034 0.000 1.126 -54 R CA 1.096 56.992 56.100 -0.340 0.000 0.963 -54 R CB -0.788 28.872 30.300 -1.067 0.000 0.858 -54 R HN 0.180 nan 8.270 nan 0.000 0.435 -53 I N 0.825 121.474 120.570 0.132 0.000 2.353 -53 I HA -0.138 4.032 4.170 0.000 0.000 0.248 -53 I C 2.524 178.702 176.117 0.102 0.000 1.119 -53 I CA 1.053 62.482 61.300 0.215 0.000 1.417 -53 I CB -1.339 36.752 38.000 0.150 0.000 1.078 -53 I HN 0.139 nan 8.210 nan 0.000 0.421 -52 A N 1.315 124.159 122.820 0.040 0.000 1.865 -52 A HA -0.201 4.119 4.320 0.000 0.000 0.217 -52 A C 2.604 180.202 177.584 0.024 0.000 1.191 -52 A CA 2.370 54.416 52.037 0.015 0.000 0.623 -52 A CB -0.898 18.096 19.000 -0.010 0.000 0.826 -52 A HN 0.409 nan 8.150 nan 0.000 0.444 -51 A N -1.069 121.766 122.820 0.026 0.000 1.908 -51 A HA -0.102 4.218 4.320 0.000 0.000 0.218 -51 A C 2.298 179.928 177.584 0.076 0.000 1.181 -51 A CA 2.400 54.459 52.037 0.036 0.000 0.627 -51 A CB -1.409 17.605 19.000 0.023 0.000 0.818 -51 A HN 0.476 nan 8.150 nan 0.000 0.445 -50 T N 0.171 114.809 114.554 0.140 0.000 2.635 -50 T HA -0.209 4.141 4.350 0.000 0.000 0.267 -50 T C 1.946 176.691 174.700 0.075 0.000 1.040 -50 T CA 1.837 64.020 62.100 0.137 0.000 1.156 -50 T CB -0.289 68.687 68.868 0.179 0.000 0.863 -50 T HN 0.297 nan 8.240 nan 0.000 0.430 -49 M N 0.991 120.623 119.600 0.053 0.000 2.159 -49 M HA -0.010 4.470 4.480 0.000 0.000 0.263 -49 M C 2.322 178.620 176.300 -0.003 0.000 1.063 -49 M CA 1.219 56.527 55.300 0.012 0.000 1.110 -49 M CB -1.149 31.446 32.600 -0.008 0.000 1.374 -49 M HN 0.383 nan 8.290 nan 0.000 0.411 -48 E N 0.309 120.511 120.200 0.003 0.000 2.085 -48 E HA -0.217 4.133 4.350 0.000 0.000 0.194 -48 E C 1.656 178.256 176.600 -0.000 0.000 0.994 -48 E CA 1.132 57.528 56.400 -0.007 0.000 0.801 -48 E CB 0.101 29.796 29.700 -0.008 0.000 0.743 -48 E HN 0.481 nan 8.360 nan 0.000 0.453 -47 N N 0.240 118.950 118.700 0.016 0.000 2.270 -47 N HA -0.109 4.631 4.740 0.000 0.000 0.181 -47 N C 1.680 177.210 175.510 0.032 0.000 1.016 -47 N CA 0.992 54.056 53.050 0.024 0.000 0.870 -47 N CB -0.237 38.271 38.487 0.034 0.000 0.979 -47 N HN 0.184 nan 8.380 nan 0.000 0.431 -46 A N 1.240 124.081 122.820 0.035 0.000 1.865 -46 A HA -0.228 4.092 4.320 0.000 0.000 0.217 -46 A C 2.262 179.849 177.584 0.004 0.000 1.191 -46 A CA 1.598 53.657 52.037 0.037 0.000 0.623 -46 A CB -0.763 18.252 19.000 0.025 0.000 0.826 -46 A HN 0.185 nan 8.150 nan 0.000 0.444 -45 Q N -0.228 119.556 119.800 -0.028 0.000 2.112 -45 Q HA -0.183 4.157 4.340 0.000 0.000 0.206 -45 Q C 1.990 177.977 176.000 -0.023 0.000 0.987 -45 Q CA 2.329 58.105 55.803 -0.046 0.000 0.858 -45 Q CB -0.263 28.445 28.738 -0.050 0.000 0.905 -45 Q HN 0.700 nan 8.270 nan 0.000 0.420 -44 K N -0.884 119.511 120.400 -0.008 0.000 2.148 -44 K HA 0.012 4.332 4.320 0.000 0.000 0.204 -44 K C 1.178 177.782 176.600 0.007 0.000 1.050 -44 K CA 0.846 57.130 56.287 -0.004 0.000 0.942 -44 K CB -0.255 32.244 32.500 -0.002 0.000 0.724 -44 K HN 0.300 nan 8.250 nan 0.000 0.446 -43 G N 0.550 109.368 108.800 0.030 0.000 2.624 -43 G HA2 0.126 4.086 3.960 0.000 0.000 0.217 -43 G HA3 0.126 4.086 3.960 0.000 0.000 0.217 -43 G C -0.961 173.990 174.900 0.085 0.000 1.506 -43 G CA -0.249 44.887 45.100 0.059 0.000 1.072 -43 G HN 0.175 nan 8.290 nan 0.000 0.568 -42 E N -1.279 119.027 120.200 0.177 0.000 2.347 -42 E HA 0.280 4.630 4.350 0.000 0.000 0.285 -42 E C -0.612 176.223 176.600 0.392 0.000 0.925 -42 E CA -0.772 55.770 56.400 0.236 0.000 0.779 -42 E CB 1.384 31.235 29.700 0.252 0.000 1.233 -42 E HN 0.209 nan 8.360 nan 0.000 0.414 -41 I N 4.328 125.073 120.570 0.292 0.000 2.710 -41 I HA 0.047 4.217 4.170 0.000 0.000 0.286 -41 I C 0.978 177.328 176.117 0.388 0.000 1.181 -41 I CA 0.378 61.880 61.300 0.337 0.000 1.430 -41 I CB 0.086 38.231 38.000 0.242 0.000 1.367 -41 I HN 0.729 nan 8.210 nan 0.000 0.577 -40 M N 7.691 127.467 119.600 0.294 0.000 2.248 -40 M HA 0.101 4.581 4.480 0.000 0.000 0.345 -40 M C -1.985 174.346 176.300 0.051 0.000 1.243 -40 M CA -1.117 54.090 55.300 -0.154 0.000 1.090 -40 M CB -0.197 32.193 32.600 -0.348 0.000 1.683 -40 M HN 0.293 nan 8.290 nan 0.000 0.450 -39 P HA 0.005 nan 4.420 nan 0.000 0.269 -39 P C -0.380 176.853 177.300 -0.111 0.000 1.217 -39 P CA 0.046 62.974 63.100 -0.286 0.000 0.783 -39 P CB 0.279 31.514 31.700 -0.774 0.000 0.898 -38 N N 1.311 120.022 118.700 0.018 0.000 2.204 -38 N HA 0.040 4.780 4.740 0.000 0.000 0.219 -38 N C 0.423 175.944 175.510 0.019 0.000 1.151 -38 N CA -0.352 52.745 53.050 0.078 0.000 0.867 -38 N CB -0.758 37.887 38.487 0.263 0.000 1.043 -38 N HN 0.426 nan 8.380 nan 0.000 0.516 -37 I N -2.537 118.007 120.570 -0.044 0.000 3.004 -37 I HA 0.324 4.494 4.170 0.000 0.000 0.287 -37 I C -1.654 174.420 176.117 -0.071 0.000 1.144 -37 I CA -1.693 59.600 61.300 -0.012 0.000 1.353 -37 I CB 0.590 38.511 38.000 -0.132 0.000 1.417 -37 I HN -0.283 nan 8.210 nan 0.000 0.602 -36 P HA -0.013 nan 4.420 nan 0.000 0.233 -36 P C 0.729 178.008 177.300 -0.035 0.000 1.167 -36 P CA 0.871 63.929 63.100 -0.070 0.000 0.770 -36 P CB 0.076 31.751 31.700 -0.041 0.000 0.837 -35 Q N -1.618 118.147 119.800 -0.058 0.000 2.482 -35 Q HA 0.079 4.419 4.340 0.000 0.000 0.209 -35 Q C 1.724 177.833 176.000 0.181 0.000 0.961 -35 Q CA 0.711 56.525 55.803 0.018 0.000 0.945 -35 Q CB -0.689 27.975 28.738 -0.124 0.000 1.012 -35 Q HN 0.149 nan 8.270 nan 0.000 0.515 -34 M N -0.682 118.987 119.600 0.114 0.000 2.159 -34 M HA -0.128 4.352 4.480 0.000 0.000 0.263 -34 M C 1.988 178.445 176.300 0.260 0.000 1.063 -34 M CA 1.194 56.588 55.300 0.157 0.000 1.110 -34 M CB -0.991 31.651 32.600 0.070 0.000 1.374 -34 M HN 0.180 nan 8.290 nan 0.000 0.411 -33 S N 0.384 116.201 115.700 0.195 0.000 2.351 -33 S HA -0.125 4.345 4.470 0.000 0.000 0.220 -33 S C 2.001 176.736 174.600 0.225 0.000 1.035 -33 S CA 1.663 59.982 58.200 0.199 0.000 1.031 -33 S CB -0.226 63.022 63.200 0.081 0.000 0.928 -33 S HN 0.548 nan 8.310 nan 0.000 0.433 -32 A N 0.680 123.606 122.820 0.177 0.000 1.908 -32 A HA -0.106 4.214 4.320 0.000 0.000 0.218 -32 A C 1.949 179.667 177.584 0.223 0.000 1.181 -32 A CA 1.903 54.047 52.037 0.180 0.000 0.627 -32 A CB -1.087 18.003 19.000 0.150 0.000 0.818 -32 A HN 0.631 nan 8.150 nan 0.000 0.445 -31 F N -0.781 119.214 119.950 0.075 0.000 2.065 -31 F HA -0.245 4.282 4.527 0.000 0.000 0.298 -31 F C 2.068 177.808 175.800 -0.100 0.000 1.112 -31 F CA 1.997 59.930 58.000 -0.112 0.000 1.212 -31 F CB -0.696 38.080 39.000 -0.374 0.000 0.975 -31 F HN 0.410 nan 8.300 nan 0.000 0.476 -30 W N -1.320 119.913 121.300 -0.112 0.000 2.358 -30 W HA -0.222 4.438 4.660 0.000 0.000 0.303 -30 W C 2.504 178.947 176.519 -0.127 0.000 1.208 -30 W CA 1.313 58.533 57.345 -0.209 0.000 1.274 -30 W CB -0.925 28.555 29.460 0.033 0.000 1.138 -30 W HN 0.186 nan 8.180 nan 0.000 0.515 -29 Y N 0.902 121.274 120.300 0.120 0.000 2.181 -29 Y HA -0.248 4.302 4.550 0.000 0.000 0.288 -29 Y C 2.337 178.237 175.900 -0.000 0.000 1.146 -29 Y CA 2.129 60.266 58.100 0.061 0.000 1.164 -29 Y CB -0.688 37.807 38.460 0.058 0.000 0.982 -29 Y HN -0.082 nan 8.280 nan 0.000 0.515 -28 A N -0.876 122.004 122.820 0.100 0.000 1.902 -28 A HA -0.146 4.174 4.320 0.000 0.000 0.217 -28 A C 2.270 179.785 177.584 -0.114 0.000 1.181 -28 A CA 2.028 54.068 52.037 0.005 0.000 0.623 -28 A CB -1.208 17.798 19.000 0.009 0.000 0.818 -28 A HN 0.319 nan 8.150 nan 0.000 0.443 -27 V N -0.135 119.645 119.914 -0.223 0.000 2.488 -27 V HA -0.178 3.942 4.120 0.000 0.000 0.246 -27 V C 2.567 178.643 176.094 -0.031 0.000 1.046 -27 V CA 1.919 64.122 62.300 -0.162 0.000 1.053 -27 V CB -0.817 30.796 31.823 -0.349 0.000 0.679 -27 V HN 0.665 nan 8.190 nan 0.000 0.458 -26 R N 0.418 120.905 120.500 -0.022 0.000 2.094 -26 R HA -0.216 4.124 4.340 0.000 0.000 0.239 -26 R C 2.348 178.584 176.300 -0.107 0.000 1.137 -26 R CA 2.480 58.561 56.100 -0.031 0.000 0.943 -26 R CB -0.663 29.588 30.300 -0.082 0.000 0.850 -26 R HN 0.555 nan 8.270 nan 0.000 0.433 -25 T N 0.628 115.059 114.554 -0.206 0.000 2.684 -25 T HA -0.171 4.179 4.350 0.000 0.000 0.267 -25 T C 1.902 176.549 174.700 -0.088 0.000 1.036 -25 T CA 1.545 63.538 62.100 -0.179 0.000 1.148 -25 T CB -0.445 68.302 68.868 -0.202 0.000 0.863 -25 T HN 0.503 nan 8.240 nan 0.000 0.436 -24 A N 0.895 123.680 122.820 -0.059 0.000 1.902 -24 A HA -0.022 4.298 4.320 0.000 0.000 0.217 -24 A C 2.632 180.208 177.584 -0.013 0.000 1.181 -24 A CA 1.336 53.357 52.037 -0.028 0.000 0.623 -24 A CB -1.020 17.971 19.000 -0.014 0.000 0.818 -24 A HN 0.351 nan 8.150 nan 0.000 0.443 -23 V N 0.183 120.101 119.914 0.006 0.000 2.261 -23 V HA -0.263 3.857 4.120 0.000 0.000 0.246 -23 V C 2.437 178.530 176.094 -0.002 0.000 1.047 -23 V CA 2.072 64.387 62.300 0.025 0.000 1.015 -23 V CB -0.650 31.220 31.823 0.079 0.000 0.642 -23 V HN 0.572 nan 8.190 nan 0.000 0.446 -22 I N 0.435 120.994 120.570 -0.018 0.000 2.179 -22 I HA -0.234 3.936 4.170 0.000 0.000 0.242 -22 I C 2.372 178.465 176.117 -0.039 0.000 1.088 -22 I CA 1.525 62.805 61.300 -0.033 0.000 1.357 -22 I CB -0.540 37.430 38.000 -0.049 0.000 1.051 -22 I HN 0.362 nan 8.210 nan 0.000 0.409 -21 N N 1.243 119.917 118.700 -0.043 0.000 2.069 -21 N HA -0.168 4.572 4.740 0.000 0.000 0.191 -21 N C 1.876 177.367 175.510 -0.033 0.000 1.031 -21 N CA 1.764 54.789 53.050 -0.041 0.000 0.852 -21 N CB -0.529 37.932 38.487 -0.042 0.000 1.018 -21 N HN 0.374 nan 8.380 nan 0.000 0.423 -20 A N 0.734 123.538 122.820 -0.027 0.000 1.902 -20 A HA 0.053 4.374 4.320 0.000 0.000 0.217 -20 A C 2.328 179.895 177.584 -0.029 0.000 1.181 -20 A CA 1.937 53.960 52.037 -0.024 0.000 0.623 -20 A CB -0.976 18.014 19.000 -0.018 0.000 0.818 -20 A HN 0.316 nan 8.150 nan 0.000 0.443 -19 A N 0.191 122.993 122.820 -0.030 0.000 1.940 -19 A HA -0.096 4.224 4.320 0.000 0.000 0.219 -19 A C 2.368 179.927 177.584 -0.041 0.000 1.176 -19 A CA 2.302 54.316 52.037 -0.038 0.000 0.631 -19 A CB -0.791 18.186 19.000 -0.039 0.000 0.814 -19 A HN 1.087 nan 8.150 nan 0.000 0.446 -18 S N -2.199 113.477 115.700 -0.039 0.000 2.575 -18 S HA 0.392 4.862 4.470 0.000 0.000 0.215 -18 S C 1.374 175.952 174.600 -0.036 0.000 0.966 -18 S CA 1.044 59.220 58.200 -0.040 0.000 0.911 -18 S CB -0.197 62.979 63.200 -0.041 0.000 0.780 -18 S HN 1.939 nan 8.310 nan 0.000 0.514 -17 G N 1.740 110.519 108.800 -0.034 0.000 2.184 -17 G HA2 -0.331 3.629 3.960 0.000 0.000 0.264 -17 G HA3 -0.331 3.629 3.960 0.000 0.000 0.264 -17 G C 0.936 175.819 174.900 -0.029 0.000 0.975 -17 G CA 0.423 45.505 45.100 -0.031 0.000 0.642 -17 G HN 0.527 nan 8.290 nan 0.000 0.536 -16 R N -0.296 120.185 120.500 -0.031 0.000 2.115 -16 R HA 0.070 4.410 4.340 0.000 0.000 0.230 -16 R C 1.187 177.469 176.300 -0.029 0.000 1.111 -16 R CA 1.562 57.643 56.100 -0.032 0.000 0.976 -16 R CB 0.014 30.291 30.300 -0.037 0.000 0.870 -16 R HN 0.613 nan 8.270 nan 0.000 0.445 -15 Q N -0.969 118.815 119.800 -0.027 0.000 2.416 -15 Q HA 0.195 4.535 4.340 0.000 0.000 0.281 -15 Q C -0.834 175.155 176.000 -0.019 0.000 1.067 -15 Q CA -0.686 55.103 55.803 -0.023 0.000 0.809 -15 Q CB 2.377 31.101 28.738 -0.024 0.000 1.418 -15 Q HN 0.081 nan 8.270 nan 0.000 0.411 -14 T N -2.405 112.140 114.554 -0.015 0.000 2.748 -14 T HA 0.106 4.456 4.350 0.000 0.000 0.304 -14 T C 1.386 176.080 174.700 -0.010 0.000 1.041 -14 T CA -0.578 61.515 62.100 -0.011 0.000 1.033 -14 T CB 0.424 69.287 68.868 -0.007 0.000 0.995 -14 T HN 0.338 nan 8.240 nan 0.000 0.536 -13 V N 1.359 121.268 119.914 -0.008 0.000 2.282 -13 V HA -0.201 3.920 4.120 0.000 0.000 0.249 -13 V C 2.566 178.658 176.094 -0.003 0.000 1.057 -13 V CA 2.296 64.593 62.300 -0.006 0.000 1.032 -13 V CB -1.014 30.807 31.823 -0.002 0.000 0.645 -13 V HN 0.867 nan 8.190 nan 0.000 0.447 -12 D N -0.093 120.307 120.400 0.000 0.000 2.106 -12 D HA -0.198 4.442 4.640 0.000 0.000 0.191 -12 D C 2.244 178.545 176.300 0.001 0.000 0.997 -12 D CA 1.735 55.736 54.000 0.002 0.000 0.834 -12 D CB -0.267 40.535 40.800 0.004 0.000 0.956 -12 D HN 0.580 nan 8.370 nan 0.000 0.448 -11 E N 0.291 120.490 120.200 -0.001 0.000 2.031 -11 E HA -0.118 4.232 4.350 0.000 0.000 0.193 -11 E C 2.147 178.745 176.600 -0.004 0.000 0.994 -11 E CA 0.988 57.386 56.400 -0.002 0.000 0.800 -11 E CB -0.111 29.584 29.700 -0.007 0.000 0.752 -11 E HN 0.211 nan 8.360 nan 0.000 0.447 -10 A N 1.165 123.981 122.820 -0.008 0.000 1.892 -10 A HA -0.200 4.120 4.320 0.000 0.000 0.218 -10 A C 2.188 179.770 177.584 -0.003 0.000 1.188 -10 A CA 1.355 53.386 52.037 -0.009 0.000 0.631 -10 A CB -0.721 18.271 19.000 -0.013 0.000 0.822 -10 A HN 0.155 nan 8.150 nan 0.000 0.447 -9 L N -1.303 119.920 121.223 0.000 0.000 2.179 -9 L HA -0.101 4.240 4.340 0.000 0.000 0.208 -9 L C 2.520 179.396 176.870 0.009 0.000 1.096 -9 L CA 1.472 56.314 54.840 0.004 0.000 0.779 -9 L CB -0.278 41.781 42.059 0.001 0.000 0.922 -9 L HN 0.364 nan 8.230 nan 0.000 0.443 -8 K N 0.543 120.949 120.400 0.009 0.000 2.057 -8 K HA -0.179 4.141 4.320 0.000 0.000 0.206 -8 K C 1.630 178.244 176.600 0.023 0.000 1.050 -8 K CA 1.540 57.837 56.287 0.016 0.000 0.935 -8 K CB -0.149 32.360 32.500 0.014 0.000 0.715 -8 K HN 0.127 nan 8.250 nan 0.000 0.439 -7 D N 0.021 120.433 120.400 0.020 0.000 2.178 -7 D HA -0.118 4.523 4.640 0.000 0.000 0.201 -7 D C 1.652 177.975 176.300 0.038 0.000 0.980 -7 D CA 1.383 55.401 54.000 0.029 0.000 0.842 -7 D CB -0.174 40.638 40.800 0.021 0.000 0.948 -7 D HN 0.372 nan 8.370 nan 0.000 0.472 -6 A N 0.591 123.426 122.820 0.024 0.000 1.897 -6 A HA -0.190 4.130 4.320 0.000 0.000 0.215 -6 A C 2.136 179.745 177.584 0.041 0.000 1.181 -6 A CA 1.557 53.608 52.037 0.022 0.000 0.620 -6 A CB -0.572 18.423 19.000 -0.008 0.000 0.821 -6 A HN 0.109 nan 8.150 nan 0.000 0.443 -5 Q N 0.570 120.392 119.800 0.037 0.000 2.047 -5 Q HA -0.213 4.127 4.340 0.000 0.000 0.211 -5 Q C 1.906 177.945 176.000 0.066 0.000 1.005 -5 Q CA 3.235 59.066 55.803 0.046 0.000 0.866 -5 Q CB -0.815 27.943 28.738 0.033 0.000 0.938 -5 Q HN 0.674 nan 8.270 nan 0.000 0.414 -4 T N -3.134 111.457 114.554 0.062 0.000 3.144 -4 T HA 0.147 4.497 4.350 0.000 0.000 0.249 -4 T C 0.453 175.202 174.700 0.081 0.000 1.089 -4 T CA 0.448 62.590 62.100 0.069 0.000 0.989 -4 T CB -0.173 68.730 68.868 0.058 0.000 0.992 -4 T HN 0.511 nan 8.240 nan 0.000 0.540 -3 N N 0.328 119.082 118.700 0.090 0.000 2.747 -3 N HA -0.221 4.519 4.740 0.000 0.000 0.249 -3 N C 0.945 176.523 175.510 0.115 0.000 1.107 -3 N CA 0.761 53.876 53.050 0.108 0.000 0.707 -3 N CB -1.440 37.114 38.487 0.112 0.000 1.054 -3 N HN 0.656 nan 8.380 nan 0.000 0.555 -2 A N -0.247 122.637 122.820 0.106 0.000 1.883 -2 A HA 0.102 4.422 4.320 0.000 0.000 0.217 -2 A C 2.450 180.131 177.584 0.162 0.000 1.186 -2 A CA 2.540 54.645 52.037 0.115 0.000 0.624 -2 A CB -1.106 17.942 19.000 0.079 0.000 0.822 -2 A HN 0.807 nan 8.150 nan 0.000 0.444 -1 A N -0.013 122.911 122.820 0.174 0.000 1.849 -1 A HA 0.059 4.379 4.320 0.000 0.000 0.217 -1 A C 2.576 180.366 177.584 0.344 0.000 1.202 -1 A CA 2.735 54.939 52.037 0.278 0.000 0.629 -1 A CB -1.363 17.812 19.000 0.293 0.000 0.834 -1 A HN 1.270 nan 8.150 nan 0.000 0.447 0 A N -0.590 122.388 122.820 0.263 0.000 1.978 0 A HA -0.209 4.111 4.320 0.000 0.000 0.220 0 A C 1.890 179.482 177.584 0.014 0.000 1.170 0 A CA 1.863 53.885 52.037 -0.024 0.000 0.636 0 A CB -0.576 18.390 19.000 -0.057 0.000 0.810 0 A HN 0.698 nan 8.150 nan 0.000 0.448 1 E N -1.963 118.294 120.200 0.094 0.000 2.216 1 E HA -0.053 4.297 4.350 0.000 0.000 0.192 1 E C 1.615 178.275 176.600 0.100 0.000 0.988 1 E CA 0.773 57.220 56.400 0.078 0.000 0.834 1 E CB -0.145 29.605 29.700 0.084 0.000 0.772 1 E HN 0.770 nan 8.360 nan 0.000 0.479 2 F N 1.132 121.101 119.950 0.031 0.000 2.187 2 F HA 0.010 4.537 4.527 0.000 0.000 0.295 2 F C 2.203 178.020 175.800 0.029 0.000 1.091 2 F CA 1.026 59.042 58.000 0.026 0.000 1.308 2 F CB 0.027 39.047 39.000 0.034 0.000 1.030 2 F HN -0.061 nan 8.300 nan 0.000 0.487 3 A N 0.263 123.229 122.820 0.244 0.000 1.972 3 A HA -0.053 4.267 4.320 0.000 0.000 0.219 3 A C 2.257 179.860 177.584 0.033 0.000 1.169 3 A CA 1.536 53.662 52.037 0.148 0.000 0.635 3 A CB -1.325 17.704 19.000 0.047 0.000 0.810 3 A HN 0.460 nan 8.150 nan 0.000 0.446 4 A N -0.984 121.834 122.820 -0.004 0.000 2.016 4 A HA 0.191 4.511 4.320 0.000 0.000 0.217 4 A C 2.028 179.601 177.584 -0.020 0.000 1.162 4 A CA 1.350 53.390 52.037 0.006 0.000 0.662 4 A CB -0.373 18.620 19.000 -0.012 0.000 0.812 4 A HN 0.550 nan 8.150 nan 0.000 0.450 5 L N -0.774 120.375 121.223 -0.123 0.000 2.049 5 L HA 0.024 4.364 4.340 0.000 0.000 0.203 5 L C 2.192 178.925 176.870 -0.229 0.000 1.074 5 L CA 1.771 56.489 54.840 -0.203 0.000 0.749 5 L CB -0.580 41.285 42.059 -0.322 0.000 0.907 5 L HN 0.319 nan 8.230 nan 0.000 0.439 6 L N -0.848 120.181 121.223 -0.323 0.000 2.079 6 L HA -0.241 4.099 4.340 0.000 0.000 0.210 6 L C 2.527 179.371 176.870 -0.044 0.000 1.081 6 L CA 2.126 56.838 54.840 -0.213 0.000 0.752 6 L CB -0.869 41.068 42.059 -0.204 0.000 0.896 6 L HN 0.534 nan 8.230 nan 0.000 0.433 7 H N -0.705 118.315 119.070 -0.084 0.000 2.326 7 H HA -0.109 4.447 4.556 0.000 0.000 0.301 7 H C 2.383 177.681 175.328 -0.050 0.000 1.081 7 H CA 1.802 57.827 56.048 -0.039 0.000 1.334 7 H CB -0.193 29.553 29.762 -0.027 0.000 1.385 7 H HN 0.583 nan 8.280 nan 0.000 0.504 8 S N -0.180 115.453 115.700 -0.112 0.000 2.428 8 S HA -0.078 4.392 4.470 0.000 0.000 0.230 8 S C 2.276 176.783 174.600 -0.155 0.000 1.014 8 S CA 0.947 59.052 58.200 -0.159 0.000 0.957 8 S CB -0.500 62.656 63.200 -0.074 0.000 0.784 8 S HN 0.398 nan 8.310 nan 0.000 0.499 9 L N 0.812 121.953 121.223 -0.135 0.000 2.017 9 L HA -0.052 4.288 4.340 0.000 0.000 0.208 9 L C 2.626 179.422 176.870 -0.123 0.000 1.073 9 L CA 1.275 56.044 54.840 -0.118 0.000 0.745 9 L CB -0.717 41.275 42.059 -0.113 0.000 0.894 9 L HN 0.321 nan 8.230 nan 0.000 0.432 10 L N -0.616 120.522 121.223 -0.141 0.000 2.017 10 L HA -0.216 4.124 4.340 0.000 0.000 0.208 10 L C 2.640 179.403 176.870 -0.178 0.000 1.073 10 L CA 1.384 56.140 54.840 -0.141 0.000 0.745 10 L CB -0.734 41.258 42.059 -0.113 0.000 0.894 10 L HN 0.305 nan 8.230 nan 0.000 0.432 11 E N 0.537 120.571 120.200 -0.277 0.000 2.049 11 E HA -0.278 4.072 4.350 0.000 0.000 0.198 11 E C 2.316 178.836 176.600 -0.134 0.000 1.007 11 E CA 1.405 57.668 56.400 -0.229 0.000 0.809 11 E CB -0.272 29.257 29.700 -0.285 0.000 0.749 11 E HN 0.516 nan 8.360 nan 0.000 0.450 12 A N 1.694 124.442 122.820 -0.121 0.000 1.927 12 A HA -0.297 4.023 4.320 0.000 0.000 0.220 12 A C 1.957 179.499 177.584 -0.071 0.000 1.185 12 A CA 2.215 54.202 52.037 -0.083 0.000 0.639 12 A CB -0.814 18.139 19.000 -0.077 0.000 0.820 12 A HN 0.253 nan 8.150 nan 0.000 0.451 13 N N -1.684 116.968 118.700 -0.079 0.000 2.354 13 N HA -0.095 4.645 4.740 0.000 0.000 0.179 13 N C 1.466 176.939 175.510 -0.061 0.000 1.021 13 N CA 1.290 54.300 53.050 -0.067 0.000 0.887 13 N CB -0.354 38.090 38.487 -0.072 0.000 0.974 13 N HN 0.442 nan 8.380 nan 0.000 0.437 14 c N -0.984 117.575 118.600 -0.069 0.000 2.485 14 c HA 0.268 4.838 4.570 0.000 0.000 0.277 14 c C 2.536 176.607 174.090 -0.031 0.000 1.376 14 c CA 0.335 56.632 56.329 -0.055 0.000 1.759 14 c CB -1.288 41.183 42.510 -0.065 0.000 1.970 14 c HN 0.427 nan 8.230 nan 0.000 0.509 15 S N 0.672 116.351 115.700 -0.036 0.000 2.406 15 S HA -0.024 4.446 4.470 0.000 0.000 0.228 15 S C 1.616 176.206 174.600 -0.016 0.000 1.020 15 S CA 0.987 59.174 58.200 -0.020 0.000 0.965 15 S CB -0.233 62.951 63.200 -0.027 0.000 0.798 15 S HN 0.607 nan 8.310 nan 0.000 0.488 16 L N 1.063 122.270 121.223 -0.026 0.000 2.072 16 L HA -0.053 4.287 4.340 0.000 0.000 0.205 16 L C 2.628 179.488 176.870 -0.017 0.000 1.079 16 L CA 1.146 55.972 54.840 -0.024 0.000 0.752 16 L CB -0.497 41.543 42.059 -0.032 0.000 0.906 16 L HN 0.315 nan 8.230 nan 0.000 0.436 17 A N -0.518 122.292 122.820 -0.018 0.000 1.933 17 A HA -0.229 4.091 4.320 0.000 0.000 0.218 17 A C 2.150 179.737 177.584 0.004 0.000 1.175 17 A CA 1.679 53.710 52.037 -0.010 0.000 0.628 17 A CB -0.680 18.311 19.000 -0.015 0.000 0.814 17 A HN 0.342 nan 8.150 nan 0.000 0.444 18 L N -0.232 120.998 121.223 0.012 0.000 2.056 18 L HA -0.027 4.313 4.340 0.000 0.000 0.207 18 L C 2.668 179.554 176.870 0.026 0.000 1.078 18 L CA 2.110 56.966 54.840 0.027 0.000 0.749 18 L CB -1.041 41.039 42.059 0.035 0.000 0.901 18 L HN 0.349 nan 8.230 nan 0.000 0.433 19 A N -0.552 122.278 122.820 0.016 0.000 1.859 19 A HA -0.288 4.032 4.320 0.000 0.000 0.217 19 A C 2.179 179.776 177.584 0.022 0.000 1.198 19 A CA 2.094 54.140 52.037 0.016 0.000 0.629 19 A CB -0.844 18.153 19.000 -0.004 0.000 0.830 19 A HN 0.593 nan 8.150 nan 0.000 0.446 20 E N -0.820 119.385 120.200 0.009 0.000 2.070 20 E HA -0.244 4.106 4.350 0.000 0.000 0.197 20 E C 2.112 178.723 176.600 0.019 0.000 1.004 20 E CA 1.604 58.010 56.400 0.009 0.000 0.805 20 E CB -0.168 29.531 29.700 -0.002 0.000 0.744 20 E HN 0.753 nan 8.360 nan 0.000 0.451 21 E N 0.405 120.609 120.200 0.007 0.000 2.058 21 E HA -0.186 4.164 4.350 0.000 0.000 0.194 21 E C 2.064 178.664 176.600 0.001 0.000 0.997 21 E CA 0.915 57.306 56.400 -0.015 0.000 0.801 21 E CB -0.010 29.670 29.700 -0.032 0.000 0.746 21 E HN 0.161 nan 8.360 nan 0.000 0.450 22 L N 0.600 121.849 121.223 0.042 0.000 2.017 22 L HA -0.199 4.141 4.340 0.000 0.000 0.208 22 L C 2.524 179.525 176.870 0.218 0.000 1.073 22 L CA 0.729 55.628 54.840 0.098 0.000 0.745 22 L CB -0.503 41.636 42.059 0.133 0.000 0.894 22 L HN 0.322 nan 8.230 nan 0.000 0.432 23 L N 0.063 121.419 121.223 0.221 0.000 2.043 23 L HA -0.258 4.082 4.340 0.000 0.000 0.212 23 L C 2.474 179.538 176.870 0.324 0.000 1.075 23 L CA 1.993 57.015 54.840 0.303 0.000 0.752 23 L CB -0.354 41.758 42.059 0.089 0.000 0.891 23 L HN 0.289 nan 8.230 nan 0.000 0.432 24 L N -0.053 121.258 121.223 0.146 0.000 1.988 24 L HA -0.237 4.103 4.340 0.000 0.000 0.207 24 L C 2.390 179.282 176.870 0.038 0.000 1.071 24 L CA 1.867 56.757 54.840 0.083 0.000 0.744 24 L CB -0.894 41.178 42.059 0.022 0.000 0.893 24 L HN 0.378 nan 8.230 nan 0.000 0.433 25 D N -0.201 120.190 120.400 -0.016 0.000 2.403 25 D HA -0.123 4.517 4.640 0.000 0.000 0.227 25 D C 1.429 177.612 176.300 -0.195 0.000 0.995 25 D CA 1.243 55.182 54.000 -0.101 0.000 0.928 25 D CB 0.371 41.090 40.800 -0.134 0.000 0.887 25 D HN 0.407 nan 8.370 nan 0.000 0.529 26 G N -1.144 107.517 108.800 -0.231 0.000 2.599 26 G HA2 0.020 3.980 3.960 0.000 0.000 0.196 26 G HA3 0.020 3.980 3.960 0.000 0.000 0.196 26 G C 0.963 175.305 174.900 -0.930 0.000 1.148 26 G CA -0.269 44.386 45.100 -0.743 0.000 0.809 26 G HN 0.269 nan 8.290 nan 0.000 0.764 27 W N 1.346 122.628 121.300 -0.031 0.000 2.324 27 W HA 0.382 5.042 4.660 0.000 0.000 0.316 27 W C 0.918 177.423 176.519 -0.023 0.000 0.927 27 W CA -0.764 56.567 57.345 -0.024 0.000 1.438 27 W CB 0.514 29.962 29.460 -0.020 0.000 1.085 27 W HN 0.191 nan 8.180 nan 0.000 0.532 28 G N 2.173 111.063 108.800 0.150 0.000 2.599 28 G HA2 0.387 4.347 3.960 0.000 0.000 0.264 28 G HA3 0.387 4.347 3.960 0.000 0.000 0.264 28 G C -2.216 172.702 174.900 0.029 0.000 1.200 28 G CA -0.548 44.598 45.100 0.077 0.000 0.896 28 G HN -0.306 nan 8.290 nan 0.000 0.536 29 P HA 0.182 nan 4.420 nan 0.000 0.268 29 P C -2.260 175.031 177.300 -0.016 0.000 1.208 29 P CA -0.919 62.183 63.100 0.003 0.000 0.777 29 P CB -0.311 31.393 31.700 0.006 0.000 0.875 30 P HA -0.007 nan 4.420 nan 0.000 0.258 30 P C 0.411 177.695 177.300 -0.025 0.000 1.187 30 P CA 0.236 63.315 63.100 -0.036 0.000 0.767 30 P CB 0.288 31.970 31.700 -0.031 0.000 0.770 31 L N 3.137 124.343 121.223 -0.029 0.000 2.444 31 L HA 0.004 4.344 4.340 0.000 0.000 0.251 31 L C 0.286 177.154 176.870 -0.003 0.000 1.247 31 L CA 0.378 55.212 54.840 -0.010 0.000 0.825 31 L CB -0.041 42.018 42.059 0.001 0.000 1.129 31 L HN 0.426 nan 8.230 nan 0.000 0.527 32 D N 1.752 122.157 120.400 0.009 0.000 2.586 32 D HA -0.033 4.607 4.640 0.000 0.000 0.234 32 D C -1.744 174.557 176.300 0.002 0.000 1.132 32 D CA -0.346 53.658 54.000 0.007 0.000 0.860 32 D CB 0.137 40.945 40.800 0.013 0.000 1.159 32 D HN 0.318 nan 8.370 nan 0.000 0.490 33 P HA -0.112 nan 4.420 nan 0.000 0.238 33 P C -0.572 176.729 177.300 0.001 0.000 1.175 33 P CA 0.936 64.034 63.100 -0.002 0.000 0.757 33 P CB -0.138 31.560 31.700 -0.003 0.000 0.839 34 E N -2.201 118.000 120.200 0.002 0.000 3.711 34 E HA 0.467 4.817 4.350 0.000 0.000 0.267 34 E C 0.124 176.725 176.600 0.002 0.000 1.198 34 E CA -0.661 55.739 56.400 0.000 0.000 1.150 34 E CB 0.180 29.878 29.700 -0.002 0.000 1.297 34 E HN -0.037 nan 8.360 nan 0.000 0.399 35 G N 1.384 110.187 108.800 0.006 0.000 3.212 35 G HA2 0.830 4.790 3.960 0.000 0.000 0.188 35 G HA3 0.830 4.790 3.960 0.000 0.000 0.188 35 G C -2.639 172.244 174.900 -0.029 0.000 1.254 35 G CA -1.185 43.918 45.100 0.006 0.000 0.957 35 G HN 0.221 nan 8.290 nan 0.000 0.596 36 P HA 0.383 nan 4.420 nan 0.000 0.314 36 P C -1.042 176.146 177.300 -0.187 0.000 1.401 36 P CA -0.751 62.246 63.100 -0.171 0.000 1.175 36 P CB 2.580 34.098 31.700 -0.303 0.000 1.676 37 Y N 0.608 120.793 120.300 -0.191 0.000 2.546 37 Y HA 0.077 4.627 4.550 0.000 0.000 0.287 37 Y C 0.198 176.027 175.900 -0.119 0.000 1.158 37 Y CA 0.269 58.315 58.100 -0.089 0.000 1.307 37 Y CB 0.598 39.020 38.460 -0.064 0.000 1.036 37 Y HN 0.250 nan 8.280 nan 0.000 0.532 38 S N 0.077 115.695 115.700 -0.136 0.000 2.269 38 S HA 0.380 4.850 4.470 0.000 0.000 0.194 38 S C -1.273 173.112 174.600 -0.357 0.000 1.547 38 S CA -0.622 57.487 58.200 -0.150 0.000 1.186 38 S CB -0.495 62.616 63.200 -0.149 0.000 1.069 38 S HN 0.168 nan 8.310 nan 0.000 0.473 39 Y N 0.010 120.289 120.300 -0.035 0.000 2.534 39 Y HA 0.535 5.085 4.550 0.000 0.000 0.329 39 Y C 0.618 176.418 175.900 -0.167 0.000 1.154 39 Y CA -1.308 56.735 58.100 -0.096 0.000 1.192 39 Y CB 0.962 39.392 38.460 -0.050 0.000 1.275 39 Y HN 0.507 nan 8.280 nan 0.000 0.491 40 c N 2.040 120.552 118.600 -0.145 0.000 2.435 40 c HA 0.315 4.885 4.570 0.000 0.000 0.375 40 c C 0.159 174.260 174.090 0.018 0.000 1.281 40 c CA -1.127 54.957 56.329 -0.409 0.000 1.963 40 c CB -0.973 40.621 42.510 -1.527 0.000 2.490 40 c HN 0.776 nan 8.230 nan 0.000 0.557 41 N N 0.845 119.671 118.700 0.211 0.000 2.513 41 N HA 0.257 4.997 4.740 0.000 0.000 0.274 41 N C -0.129 175.658 175.510 0.461 0.000 1.189 41 N CA -0.025 53.193 53.050 0.279 0.000 0.975 41 N CB 0.511 39.115 38.487 0.194 0.000 1.157 41 N HN 0.629 nan 8.380 nan 0.000 0.465 42 T N 1.666 116.399 114.554 0.299 0.000 2.819 42 T HA -0.013 4.337 4.350 0.000 0.000 0.282 42 T C -0.103 174.715 174.700 0.197 0.000 1.013 42 T CA 0.608 62.852 62.100 0.241 0.000 1.159 42 T CB -0.171 68.770 68.868 0.123 0.000 1.007 42 T HN 0.353 nan 8.240 nan 0.000 0.514 43 T N 2.941 117.574 114.554 0.132 0.000 2.894 43 T HA 0.542 4.892 4.350 0.000 0.000 0.309 43 T C -1.329 173.373 174.700 0.002 0.000 1.208 43 T CA -0.698 61.429 62.100 0.045 0.000 1.016 43 T CB 1.640 70.485 68.868 -0.038 0.000 1.192 43 T HN 0.436 nan 8.240 nan 0.000 0.491 44 L N 3.981 125.207 121.223 0.005 0.000 2.319 44 L HA 0.567 4.907 4.340 0.000 0.000 0.281 44 L C -0.364 176.533 176.870 0.045 0.000 1.005 44 L CA -0.501 54.334 54.840 -0.008 0.000 0.828 44 L CB 0.899 42.940 42.059 -0.031 0.000 1.227 44 L HN 0.728 nan 8.230 nan 0.000 0.415 45 D N 2.187 122.640 120.400 0.088 0.000 2.433 45 D HA 0.087 4.727 4.640 0.000 0.000 0.255 45 D C 0.417 176.768 176.300 0.085 0.000 1.226 45 D CA -0.199 53.875 54.000 0.123 0.000 1.015 45 D CB 0.614 41.576 40.800 0.271 0.000 1.091 45 D HN 0.558 nan 8.370 nan 0.000 0.527 46 Q N -0.716 119.120 119.800 0.060 0.000 2.541 46 Q HA 0.188 4.529 4.340 0.000 0.000 0.215 46 Q C 1.117 177.137 176.000 0.033 0.000 0.977 46 Q CA 0.782 56.613 55.803 0.047 0.000 0.934 46 Q CB -0.268 28.481 28.738 0.018 0.000 0.988 46 Q HN 0.520 nan 8.270 nan 0.000 0.521 47 I N -1.372 119.160 120.570 -0.063 0.000 3.956 47 I HA 0.207 4.377 4.170 0.000 0.000 0.333 47 I C 0.975 177.071 176.117 -0.035 0.000 1.302 47 I CA 0.397 61.558 61.300 -0.231 0.000 1.122 47 I CB 0.398 37.934 38.000 -0.774 0.000 1.013 47 I HN 0.369 nan 8.210 nan 0.000 0.405 48 G N 1.148 109.971 108.800 0.039 0.000 2.176 48 G HA2 -0.227 3.733 3.960 0.000 0.000 0.232 48 G HA3 -0.227 3.733 3.960 0.000 0.000 0.232 48 G C 0.395 175.253 174.900 -0.072 0.000 0.986 48 G CA 0.110 45.235 45.100 0.043 0.000 0.643 48 G HN 0.285 nan 8.290 nan 0.000 0.522 49 T N 0.769 115.238 114.554 -0.141 0.000 2.870 49 T HA 0.399 4.749 4.350 0.000 0.000 0.300 49 T C 0.466 174.880 174.700 -0.476 0.000 0.989 49 T CA 0.457 62.336 62.100 -0.369 0.000 1.139 49 T CB 1.807 70.341 68.868 -0.557 0.000 0.920 49 T HN 0.747 nan 8.240 nan 0.000 0.537 50 c N 6.088 124.406 118.600 -0.469 0.000 2.265 50 c HA 0.503 5.073 4.570 0.000 0.000 0.332 50 c C -0.384 173.398 174.090 -0.513 0.000 1.248 50 c CA -1.313 54.803 56.329 -0.355 0.000 1.727 50 c CB -1.444 40.949 42.510 -0.196 0.000 2.348 50 c HN 0.914 nan 8.230 nan 0.000 0.519 51 W N 8.365 129.523 121.300 -0.237 0.000 2.345 51 W HA 0.359 5.019 4.660 0.000 0.000 0.308 51 W C -1.777 174.703 176.519 -0.064 0.000 1.273 51 W CA -2.129 55.033 57.345 -0.305 0.000 1.243 51 W CB 0.409 29.339 29.460 -0.884 0.000 1.260 51 W HN 0.585 nan 8.180 nan 0.000 0.509 52 P HA 0.144 nan 4.420 nan 0.000 0.276 52 P C -0.445 177.092 177.300 0.395 0.000 1.252 52 P CA -0.713 62.531 63.100 0.239 0.000 0.802 52 P CB 0.792 32.579 31.700 0.145 0.000 1.035 53 R N 0.859 121.504 120.500 0.241 0.000 2.484 53 R HA 0.281 4.621 4.340 0.000 0.000 0.293 53 R C -0.410 175.994 176.300 0.174 0.000 1.023 53 R CA 0.712 56.928 56.100 0.195 0.000 1.037 53 R CB -0.142 30.156 30.300 -0.004 0.000 0.951 53 R HN 0.472 nan 8.270 nan 0.000 0.418 54 S N 1.771 117.588 115.700 0.196 0.000 2.569 54 S HA 0.536 5.006 4.470 0.000 0.000 0.280 54 S C -1.059 173.661 174.600 0.199 0.000 1.111 54 S CA -0.736 57.570 58.200 0.177 0.000 0.887 54 S CB 2.001 65.274 63.200 0.121 0.000 1.095 54 S HN 0.785 nan 8.310 nan 0.000 0.476 55 A N 1.522 124.456 122.820 0.189 0.000 2.462 55 A HA 0.648 4.968 4.320 0.000 0.000 0.243 55 A C 0.597 178.093 177.584 -0.147 0.000 1.076 55 A CA -0.125 51.896 52.037 -0.027 0.000 0.773 55 A CB -0.261 18.724 19.000 -0.026 0.000 1.010 55 A HN 1.211 nan 8.150 nan 0.000 0.493 56 A N 1.208 123.894 122.820 -0.224 0.000 2.546 56 A HA 0.468 4.788 4.320 0.000 0.000 0.243 56 A C 1.631 179.127 177.584 -0.145 0.000 1.063 56 A CA 0.933 52.849 52.037 -0.202 0.000 0.757 56 A CB -0.767 18.117 19.000 -0.193 0.000 0.991 56 A HN 2.744 nan 8.150 nan 0.000 0.503 57 G N 1.062 109.784 108.800 -0.131 0.000 2.254 57 G HA2 0.151 4.111 3.960 0.000 0.000 0.225 57 G HA3 0.151 4.111 3.960 0.000 0.000 0.225 57 G C 0.677 175.540 174.900 -0.061 0.000 1.003 57 G CA 0.342 45.390 45.100 -0.086 0.000 0.622 57 G HN 2.258 nan 8.290 nan 0.000 0.507 58 A N 0.290 123.071 122.820 -0.065 0.000 2.511 58 A HA 0.622 4.942 4.320 0.000 0.000 0.242 58 A C 0.174 177.769 177.584 0.019 0.000 1.069 58 A CA 0.575 52.607 52.037 -0.009 0.000 0.763 58 A CB 0.644 19.654 19.000 0.016 0.000 1.001 58 A HN 1.455 nan 8.150 nan 0.000 0.498 59 L N 4.103 125.361 121.223 0.058 0.000 2.264 59 L HA 0.545 4.885 4.340 0.000 0.000 0.289 59 L C -0.632 176.340 176.870 0.170 0.000 1.044 59 L CA -0.067 54.833 54.840 0.099 0.000 0.807 59 L CB 1.384 43.492 42.059 0.082 0.000 1.192 59 L HN 0.429 nan 8.230 nan 0.000 0.425 60 V N 4.578 124.625 119.914 0.223 0.000 2.459 60 V HA 0.438 4.558 4.120 0.000 0.000 0.295 60 V C -0.239 176.046 176.094 0.319 0.000 1.029 60 V CA -0.783 61.695 62.300 0.296 0.000 0.874 60 V CB 1.580 33.676 31.823 0.456 0.000 0.985 60 V HN 0.708 nan 8.190 nan 0.000 0.438 61 E N 4.627 124.950 120.200 0.205 0.000 2.216 61 E HA 0.639 4.989 4.350 0.000 0.000 0.279 61 E C -0.747 175.835 176.600 -0.030 0.000 0.997 61 E CA -0.820 55.569 56.400 -0.018 0.000 0.817 61 E CB 1.768 31.414 29.700 -0.089 0.000 1.096 61 E HN 0.387 nan 8.360 nan 0.000 0.393 62 R N 2.379 122.756 120.500 -0.205 0.000 2.725 62 R HA 0.428 4.768 4.340 0.000 0.000 0.277 62 R C -2.731 173.359 176.300 -0.351 0.000 0.987 62 R CA -2.410 53.477 56.100 -0.357 0.000 0.901 62 R CB 1.631 31.469 30.300 -0.771 0.000 1.207 62 R HN 0.365 nan 8.270 nan 0.000 0.463 63 P HA 0.161 nan 4.420 nan 0.000 0.271 63 P C -0.197 176.992 177.300 -0.184 0.000 1.218 63 P CA -0.397 62.592 63.100 -0.184 0.000 0.780 63 P CB 0.471 32.103 31.700 -0.114 0.000 0.901 64 c N 4.913 123.443 118.600 -0.117 0.000 2.634 64 c HA 0.081 4.651 4.570 0.000 0.000 0.417 64 c C -1.564 172.511 174.090 -0.025 0.000 1.334 64 c CA -0.542 55.751 56.329 -0.059 0.000 1.829 64 c CB -1.277 41.232 42.510 -0.001 0.000 2.665 64 c HN 0.549 nan 8.230 nan 0.000 0.614 65 P HA -0.050 nan 4.420 nan 0.000 0.264 65 P C 0.422 177.807 177.300 0.141 0.000 1.179 65 P CA 0.687 63.800 63.100 0.022 0.000 0.763 65 P CB 0.480 32.155 31.700 -0.041 0.000 0.806 66 E N 1.446 121.753 120.200 0.179 0.000 2.230 66 E HA -0.104 4.246 4.350 0.000 0.000 0.192 66 E C -0.279 176.532 176.600 0.353 0.000 0.987 66 E CA 0.473 57.008 56.400 0.225 0.000 0.841 66 E CB 0.190 29.988 29.700 0.164 0.000 0.783 66 E HN 0.515 nan 8.360 nan 0.000 0.481 67 Y N -0.615 119.828 120.300 0.238 0.000 2.433 67 Y HA 0.417 4.967 4.550 0.000 0.000 0.337 67 Y C -1.937 174.198 175.900 0.392 0.000 1.026 67 Y CA -1.191 57.079 58.100 0.284 0.000 1.037 67 Y CB 1.343 39.923 38.460 0.199 0.000 1.245 67 Y HN -0.118 nan 8.280 nan 0.000 0.443 68 F N 6.284 125.978 119.950 -0.426 0.000 2.651 68 F HA 0.329 4.856 4.527 0.000 0.000 0.329 68 F C -0.677 174.874 175.800 -0.416 0.000 1.186 68 F CA -1.106 56.702 58.000 -0.320 0.000 1.046 68 F CB 1.022 39.958 39.000 -0.107 0.000 1.296 68 F HN 0.693 nan 8.300 nan 0.000 0.497 69 N N 4.231 122.325 118.700 -1.009 0.000 2.678 69 N HA -0.141 4.600 4.740 0.000 0.000 0.268 69 N C 0.907 176.144 175.510 -0.455 0.000 1.010 69 N CA 1.844 54.489 53.050 -0.674 0.000 0.784 69 N CB -0.808 37.223 38.487 -0.760 0.000 0.905 69 N HN 1.410 nan 8.380 nan 0.000 0.552 70 G N -2.674 105.800 108.800 -0.543 0.000 2.155 70 G HA2 -0.273 3.687 3.960 0.000 0.000 0.257 70 G HA3 -0.273 3.687 3.960 0.000 0.000 0.257 70 G C -0.019 174.753 174.900 -0.214 0.000 0.983 70 G CA 0.417 45.392 45.100 -0.208 0.000 0.676 70 G HN 0.597 nan 8.290 nan 0.000 0.528 71 V N 0.700 120.404 119.914 -0.349 0.000 2.656 71 V HA 0.548 4.669 4.120 0.000 0.000 0.307 71 V C 0.076 176.042 176.094 -0.213 0.000 1.051 71 V CA -1.266 60.892 62.300 -0.238 0.000 0.893 71 V CB 2.014 33.712 31.823 -0.209 0.000 0.999 71 V HN 0.185 nan 8.190 nan 0.000 0.426 72 K N 3.214 123.492 120.400 -0.203 0.000 2.156 72 K HA 0.561 4.881 4.320 0.000 0.000 0.271 72 K C -1.507 174.920 176.600 -0.289 0.000 0.995 72 K CA -0.366 55.879 56.287 -0.070 0.000 0.890 72 K CB 1.780 34.292 32.500 0.019 0.000 1.073 72 K HN 0.560 nan 8.250 nan 0.000 0.454 73 Y N 0.537 120.875 120.300 0.063 0.000 2.509 73 Y HA 0.127 4.678 4.550 0.000 0.000 0.341 73 Y C 0.680 176.608 175.900 0.048 0.000 1.038 73 Y CA -1.006 57.126 58.100 0.053 0.000 1.089 73 Y CB 1.213 39.708 38.460 0.057 0.000 1.241 73 Y HN 0.512 nan 8.280 nan 0.000 0.468 74 N N 1.228 120.036 118.700 0.181 0.000 2.406 74 N HA -0.045 4.695 4.740 0.000 0.000 0.274 74 N C 0.854 176.433 175.510 0.115 0.000 1.249 74 N CA 0.412 53.532 53.050 0.117 0.000 0.951 74 N CB 0.603 39.143 38.487 0.088 0.000 1.241 74 N HN 0.819 nan 8.380 nan 0.000 0.485 75 T N -0.955 113.653 114.554 0.091 0.000 3.072 75 T HA -0.143 4.208 4.350 0.000 0.000 0.266 75 T C 1.511 176.226 174.700 0.025 0.000 1.127 75 T CA 1.323 63.457 62.100 0.057 0.000 1.107 75 T CB -0.561 68.334 68.868 0.045 0.000 0.910 75 T HN 0.507 nan 8.240 nan 0.000 0.513 76 T N -1.085 113.488 114.554 0.033 0.000 3.194 76 T HA 0.248 4.598 4.350 0.000 0.000 0.251 76 T C 0.742 175.456 174.700 0.023 0.000 1.132 76 T CA -0.463 61.650 62.100 0.021 0.000 1.028 76 T CB -0.204 68.679 68.868 0.025 0.000 0.976 76 T HN 0.360 nan 8.240 nan 0.000 0.535 77 R N 0.951 121.468 120.500 0.028 0.000 2.758 77 R HA 0.611 4.951 4.340 0.000 0.000 0.265 77 R C -0.623 175.656 176.300 -0.034 0.000 1.016 77 R CA -0.879 55.238 56.100 0.029 0.000 1.040 77 R CB 0.733 31.072 30.300 0.066 0.000 1.152 77 R HN 0.189 nan 8.270 nan 0.000 0.503 78 N N -0.184 118.465 118.700 -0.085 0.000 2.319 78 N HA 0.436 5.176 4.740 0.000 0.000 0.305 78 N C -1.116 174.141 175.510 -0.421 0.000 1.103 78 N CA -0.628 52.235 53.050 -0.312 0.000 0.815 78 N CB 2.063 40.232 38.487 -0.531 0.000 1.288 78 N HN 0.611 nan 8.380 nan 0.000 0.493 79 A N 0.965 123.495 122.820 -0.482 0.000 2.286 79 A HA 0.677 4.997 4.320 0.000 0.000 0.286 79 A C -1.273 176.007 177.584 -0.507 0.000 1.097 79 A CA -0.207 51.541 52.037 -0.482 0.000 0.821 79 A CB 0.186 18.801 19.000 -0.641 0.000 1.076 79 A HN 0.602 nan 8.150 nan 0.000 0.490 80 Y N -0.213 120.079 120.300 -0.013 0.000 2.391 80 Y HA 0.678 5.228 4.550 0.000 0.000 0.341 80 Y C 0.261 176.015 175.900 -0.245 0.000 0.965 80 Y CA -0.482 57.614 58.100 -0.006 0.000 1.067 80 Y CB 1.945 40.386 38.460 -0.031 0.000 1.199 80 Y HN 0.778 nan 8.280 nan 0.000 0.450 81 R N 1.905 122.216 120.500 -0.315 0.000 2.621 81 R HA 0.328 4.668 4.340 0.000 0.000 0.284 81 R C -1.354 174.885 176.300 -0.103 0.000 0.998 81 R CA -0.719 55.066 56.100 -0.525 0.000 0.895 81 R CB 1.800 31.168 30.300 -1.555 0.000 1.195 81 R HN 0.859 nan 8.270 nan 0.000 0.450 82 E N 3.531 123.719 120.200 -0.019 0.000 2.200 82 E HA 0.106 4.457 4.350 0.000 0.000 0.283 82 E C -1.125 175.501 176.600 0.044 0.000 1.015 82 E CA -0.469 55.950 56.400 0.031 0.000 0.819 82 E CB 1.150 30.845 29.700 -0.009 0.000 1.081 82 E HN 0.545 nan 8.360 nan 0.000 0.397 83 c N 7.605 126.139 118.600 -0.110 0.000 2.322 83 c HA 0.339 4.909 4.570 0.000 0.000 0.343 83 c C 0.401 174.346 174.090 -0.242 0.000 1.190 83 c CA -0.704 55.373 56.329 -0.420 0.000 1.704 83 c CB -1.540 40.565 42.510 -0.677 0.000 2.293 83 c HN 0.703 nan 8.230 nan 0.000 0.523 84 L N 5.423 126.528 121.223 -0.198 0.000 2.482 84 L HA 0.110 4.450 4.340 0.000 0.000 0.273 84 L C 1.669 178.456 176.870 -0.138 0.000 1.228 84 L CA 0.281 55.045 54.840 -0.128 0.000 0.827 84 L CB 0.401 42.405 42.059 -0.091 0.000 1.099 84 L HN 0.701 nan 8.230 nan 0.000 0.494 85 E N 0.760 120.898 120.200 -0.103 0.000 2.401 85 E HA -0.201 4.149 4.350 0.000 0.000 0.199 85 E C 1.078 177.615 176.600 -0.105 0.000 1.023 85 E CA 1.018 57.357 56.400 -0.101 0.000 0.859 85 E CB -0.008 29.646 29.700 -0.077 0.000 0.780 85 E HN 0.621 nan 8.360 nan 0.000 0.523 86 N N -1.067 117.571 118.700 -0.102 0.000 2.325 86 N HA 0.028 4.768 4.740 0.000 0.000 0.182 86 N C 1.095 176.540 175.510 -0.107 0.000 1.088 86 N CA 0.868 53.861 53.050 -0.093 0.000 0.879 86 N CB 0.869 39.313 38.487 -0.072 0.000 0.983 86 N HN 0.088 nan 8.380 nan 0.000 0.471 87 G N -0.880 107.834 108.800 -0.143 0.000 2.184 87 G HA2 -0.199 3.762 3.960 0.000 0.000 0.206 87 G HA3 -0.199 3.762 3.960 0.000 0.000 0.206 87 G C -0.057 174.732 174.900 -0.185 0.000 0.995 87 G CA 0.192 45.196 45.100 -0.159 0.000 0.651 87 G HN 0.790 nan 8.290 nan 0.000 0.511 88 T N -2.184 112.266 114.554 -0.174 0.000 2.888 88 T HA 0.578 4.928 4.350 0.000 0.000 0.284 88 T C 0.022 174.612 174.700 -0.182 0.000 1.017 88 T CA -0.803 61.215 62.100 -0.137 0.000 1.022 88 T CB 1.687 70.534 68.868 -0.035 0.000 1.013 88 T HN 0.337 nan 8.240 nan 0.000 0.465 89 W N 1.643 122.919 121.300 -0.039 0.000 2.251 89 W HA 0.495 5.155 4.660 0.000 0.000 0.327 89 W C 1.030 177.493 176.519 -0.092 0.000 1.361 89 W CA -0.573 56.720 57.345 -0.086 0.000 1.234 89 W CB 0.294 29.693 29.460 -0.102 0.000 1.212 89 W HN 1.023 nan 8.180 nan 0.000 0.557 90 A N 2.269 125.177 122.820 0.148 0.000 2.555 90 A HA 0.058 4.378 4.320 0.000 0.000 0.233 90 A C 1.495 179.109 177.584 0.050 0.000 1.060 90 A CA 0.659 52.732 52.037 0.060 0.000 0.759 90 A CB 0.258 19.269 19.000 0.018 0.000 0.995 90 A HN 0.830 nan 8.150 nan 0.000 0.506 91 S N 1.197 116.912 115.700 0.025 0.000 2.446 91 S HA 0.019 4.489 4.470 0.000 0.000 0.225 91 S C 0.818 175.416 174.600 -0.005 0.000 1.016 91 S CA 0.880 59.091 58.200 0.017 0.000 0.943 91 S CB -0.159 63.056 63.200 0.026 0.000 0.786 91 S HN 0.717 nan 8.310 nan 0.000 0.508 92 K N 0.798 121.191 120.400 -0.012 0.000 2.174 92 K HA 0.541 4.861 4.320 0.000 0.000 0.275 92 K C -1.273 175.302 176.600 -0.041 0.000 1.015 92 K CA -0.522 55.757 56.287 -0.013 0.000 0.933 92 K CB 0.607 33.102 32.500 -0.009 0.000 1.025 92 K HN 0.309 nan 8.250 nan 0.000 0.463 93 I N 3.096 123.666 120.570 0.001 0.000 2.465 93 I HA 0.144 4.314 4.170 0.000 0.000 0.291 93 I C -0.261 175.883 176.117 0.045 0.000 1.014 93 I CA -0.941 60.345 61.300 -0.024 0.000 1.093 93 I CB 1.766 39.803 38.000 0.062 0.000 1.267 93 I HN 0.525 nan 8.210 nan 0.000 0.431 94 N N 5.145 123.822 118.700 -0.039 0.000 2.439 94 N HA 0.120 4.860 4.740 0.000 0.000 0.243 94 N C -0.284 175.182 175.510 -0.072 0.000 1.088 94 N CA 0.243 53.305 53.050 0.021 0.000 0.940 94 N CB 0.289 38.823 38.487 0.078 0.000 1.180 94 N HN 0.465 nan 8.380 nan 0.000 0.505 95 Y N 0.572 120.899 120.300 0.044 0.000 2.468 95 Y HA 0.001 4.551 4.550 0.000 0.000 0.268 95 Y C 2.221 178.131 175.900 0.017 0.000 1.177 95 Y CA -0.057 58.043 58.100 -0.001 0.000 1.265 95 Y CB 0.225 38.625 38.460 -0.099 0.000 1.103 95 Y HN 0.564 nan 8.280 nan 0.000 0.522 96 S N -0.569 115.215 115.700 0.140 0.000 2.440 96 S HA -0.224 4.246 4.470 0.000 0.000 0.240 96 S C 1.462 176.129 174.600 0.112 0.000 1.014 96 S CA 1.237 59.502 58.200 0.109 0.000 0.980 96 S CB -0.100 63.143 63.200 0.072 0.000 0.775 96 S HN 0.391 nan 8.310 nan 0.000 0.499 97 Q N -0.034 119.844 119.800 0.130 0.000 2.319 97 Q HA 0.270 4.610 4.340 0.000 0.000 0.202 97 Q C 0.035 176.112 176.000 0.127 0.000 0.896 97 Q CA -0.011 55.870 55.803 0.129 0.000 0.942 97 Q CB -0.389 28.450 28.738 0.168 0.000 1.083 97 Q HN 0.584 nan 8.270 nan 0.000 0.510 98 c N 2.794 121.473 118.600 0.132 0.000 2.218 98 c HA 0.291 4.862 4.570 0.000 0.000 0.353 98 c C 0.823 175.096 174.090 0.304 0.000 1.070 98 c CA -1.007 55.414 56.329 0.154 0.000 1.497 98 c CB -1.615 40.900 42.510 0.009 0.000 1.951 98 c HN 0.278 nan 8.230 nan 0.000 0.493 99 E N 4.014 124.373 120.200 0.265 0.000 2.259 99 E HA 0.301 4.651 4.350 0.000 0.000 0.281 99 E C -2.177 174.548 176.600 0.208 0.000 1.037 99 E CA -1.104 55.427 56.400 0.219 0.000 0.854 99 E CB 0.749 30.520 29.700 0.117 0.000 1.051 99 E HN 0.401 nan 8.360 nan 0.000 0.409 100 P HA 0.236 nan 4.420 nan 0.000 0.274 100 P C -0.760 176.422 177.300 -0.196 0.000 1.246 100 P CA -0.196 62.642 63.100 -0.436 0.000 0.795 100 P CB 0.785 32.208 31.700 -0.462 0.000 1.006 101 I N 0.000 120.443 120.570 -0.211 0.000 2.984 101 I HA 0.000 4.170 4.170 0.000 0.000 0.288 101 I CA 0.000 61.239 61.300 -0.101 0.000 1.566 101 I CB 0.000 37.972 38.000 -0.046 0.000 1.214 101 I HN 0.000 nan 8.210 nan 0.000 0.494